National Library of Energy BETA

Sample records for industrial chemical model

  1. Chemical Industry Corrosion Management

    SciTech Connect (OSTI)

    2003-02-01

    Improved Corrosion Management Could Provide Significant Cost and Energy Savings for the Chemical Industry. In the chemical industry, corrosion is often responsible for significant shutdown and maintenance costs.

  2. Chemicals Industry Vision

    SciTech Connect (OSTI)

    none,

    1996-12-01

    Chemical industry leaders articulated a long-term vision for the industry, its markets, and its technology in the groundbreaking 1996 document Technology Vision 2020 - The U.S. Chemical Industry. (PDF 310 KB).

  3. Chemical Industry Bandwidth Study

    SciTech Connect (OSTI)

    none,

    2006-12-01

    The Chemical Bandwidth Study provides a snapshot of potentially recoverable energy losses during chemical manufacturing. The advantage of this study is the use of "exergy" analysis as a tool for pinpointing inefficiencies.

  4. ITP Chemicals: Chemical Industry of the Future: New Biocatalysts...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential Tools for a ... TECHNOLOGY VISION 2020: The U.S. Chemical Industry Gasoline Biodesulfurization Fact Sheet ...

  5. The chemical industry, by country

    SciTech Connect (OSTI)

    Not Available

    1995-03-01

    Beijing will be the site for the third ACHEMASIA, international petrochemical and chemical exhibition and conference, May 15--20, 1995. In preparation for this conference, Hydrocarbon Processing contacted executives of petrochemical/chemical industries and trade associations, seeking views on the state of the industry. The Asia-Pacific region is the center of new construction and expanded capacity and also a mixture of mature, developing and emerging petrochemical industries. Established countries must mold and grow with emerging economies as the newcomers access natural resources and develop their own petrochemical infrastructures. The following nation reports focus on product supply/demand trends, economic forecasts, new construction, etc. Space limitations prohibit publishing commentaries from all countries that have petrochemical/chemical capacity. Reports are published from the following countries: Australia, China, Japan, Korea, Malaysia, Philippines, Thailand, and Vietnam.

  6. Chemicals Industry New Process Chemistry Roadmap

    SciTech Connect (OSTI)

    none,

    2000-08-01

    The Materials Technology I workshop was held in November 1998 to address future research needs for materials technology that will support the chemical industry. Areas covered included disassembly, recovery, reuse and renewable technology; new materials; and materials measurement and characterization. The Materials Technology II workshop was held in September 1999 and covered additives, modeling and prediction and an additional segment on new materials. Materials Technology Institute (MTI) for the Chemical Process Industries, Inc. and Air Products & Chemicals lead the workshops. The Materials Technology Roadmap presents the results from both workshops.

  7. Sanyo Chemical Industries | Open Energy Information

    Open Energy Info (EERE)

    Industries Jump to: navigation, search Name: Sanyo Chemical Industries Place: Tokyo, Japan Zip: 103-0023 Product: String representation "Sanyo is a petr ... uction process." is...

  8. In silico prediction of toxicity of non-congeneric industrial chemicals using ensemble learning based modeling approaches

    SciTech Connect (OSTI)

    Singh, Kunwar P. Gupta, Shikha

    2014-03-15

    Ensemble learning approach based decision treeboost (DTB) and decision tree forest (DTF) models are introduced in order to establish quantitative structuretoxicity relationship (QSTR) for the prediction of toxicity of 1450 diverse chemicals. Eight non-quantum mechanical molecular descriptors were derived. Structural diversity of the chemicals was evaluated using Tanimoto similarity index. Stochastic gradient boosting and bagging algorithms supplemented DTB and DTF models were constructed for classification and function optimization problems using the toxicity end-point in T. pyriformis. Special attention was drawn to prediction ability and robustness of the models, investigated both in external and 10-fold cross validation processes. In complete data, optimal DTB and DTF models rendered accuracies of 98.90%, 98.83% in two-category and 98.14%, 98.14% in four-category toxicity classifications. Both the models further yielded classification accuracies of 100% in external toxicity data of T. pyriformis. The constructed regression models (DTB and DTF) using five descriptors yielded correlation coefficients (R{sup 2}) of 0.945, 0.944 between the measured and predicted toxicities with mean squared errors (MSEs) of 0.059, and 0.064 in complete T. pyriformis data. The T. pyriformis regression models (DTB and DTF) applied to the external toxicity data sets yielded R{sup 2} and MSE values of 0.637, 0.655; 0.534, 0.507 (marine bacteria) and 0.741, 0.691; 0.155, 0.173 (algae). The results suggest for wide applicability of the inter-species models in predicting toxicity of new chemicals for regulatory purposes. These approaches provide useful strategy and robust tools in the screening of ecotoxicological risk or environmental hazard potential of chemicals. - Graphical abstract: Importance of input variables in DTB and DTF classification models for (a) two-category, and (b) four-category toxicity intervals in T. pyriformis data. Generalization and predictive abilities of the

  9. Lee Chung Yung Chemical Industry Corporation | Open Energy Information

    Open Energy Info (EERE)

    Chung Yung Chemical Industry Corporation Jump to: navigation, search Name: Lee Chung Yung Chemical Industry Corporation Place: Taipei, Taiwan Product: Chemical manufacturer...

  10. Nova Chemicals Reliance Industries JV | Open Energy Information

    Open Energy Info (EERE)

    Product: Nova Chemicals has signed an agreement with Reliance Industries to construct energy efficient buildings in India. References: Nova Chemicals & Reliance Industries...

  11. Chemical Industry Vision 2020. Annual Report 2004 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Industry; ITP; AMO; Chemicals; Vision Word Cloud More ...

  12. Energy and Environmental Profile of the Chemicals Industry

    SciTech Connect (OSTI)

    Pellegrino, Joan L.

    2000-05-01

    This informative report provides an overview of the U.S. Chemical Industry including data on market trends, energy and material consumption, and an environmental overview.

  13. Chemicals Industry Profile | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    According to the American Chemistry Council, the industry has reduced energy ... Employment Chemistry companies in the United States directly employ 784,000 people and ...

  14. LLNL Chemical Kinetics Modeling Group

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Herbinet, O; Curran, H J; Silke, E J

    2008-09-24

    The LLNL chemical kinetics modeling group has been responsible for much progress in the development of chemical kinetic models for practical fuels. The group began its work in the early 1970s, developing chemical kinetic models for methane, ethane, ethanol and halogenated inhibitors. Most recently, it has been developing chemical kinetic models for large n-alkanes, cycloalkanes, hexenes, and large methyl esters. These component models are needed to represent gasoline, diesel, jet, and oil-sand-derived fuels.

  15. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J.

    1993-12-01

    This project emphasizes numerical modeling of chemical kinetics of combustion, including applications in both practical combustion systems and in controlled laboratory experiments. Elementary reaction rate parameters are combined into mechanisms which then describe the overall reaction of the fuels being studied. Detailed sensitivity analyses are used to identify those reaction rates and product species distributions to which the results are most sensitive and therefore warrant the greatest attention from other experimental and theoretical research programs. Experimental data from a variety of environments are combined together to validate the reaction mechanisms, including results from laminar flames, shock tubes, flow systems, detonations, and even internal combustion engines.

  16. ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical Industry, May 2000

    Office of Energy Efficiency and Renewable Energy (EERE)

    Profiles about the ethylene chain, propylene chain, benzene-toulene-xylene chain, agricultural chemicals chain, chlor-alkali industry, and supporting processes

  17. Olefin Recovery from Chemical Industry Waste Streams

    SciTech Connect (OSTI)

    A.R. Da Costa; R. Daniels; A. Jariwala; Z. He; A. Morisato; I. Pinnau; J.G. Wijmans

    2003-11-21

    The objective of this project was to develop a membrane process to separate olefins from paraffins in waste gas streams as an alternative to flaring or distillation. Flaring these streams wastes their chemical feedstock value; distillation is energy and capital cost intensive, particularly for small waste streams.

  18. Technology Vision 2020 The U.S. Chemical Industry

    SciTech Connect (OSTI)

    none,

    1996-12-01

    Technology Vision 2020 is a call to action, innovation, and change for the U.S. chemical industry. The body of this report outlines the current state of the industry, a vision for tomorrow, and the technical advances needed to make this vision a reality.

  19. Process Control Systems in the Chemical Industry: Safety vs. Security

    SciTech Connect (OSTI)

    Jeffrey Hahn; Thomas Anderson

    2005-04-01

    Traditionally, the primary focus of the chemical industry has been safety and productivity. However, recent threats to our nations critical infrastructure have prompted a tightening of security measures across many different industry sectors. Reducing vulnerabilities of control systems against physical and cyber attack is necessary to ensure the safety, security and effective functioning of these systems. The U.S. Department of Homeland Security has developed a strategy to secure these vulnerabilities. Crucial to this strategy is the Control Systems Security and Test Center (CSSTC) established to test and analyze control systems equipment. In addition, the CSSTC promotes a proactive, collaborative approach to increase industry's awareness of standards, products and processes that can enhance the security of control systems. This paper outlines measures that can be taken to enhance the cybersecurity of process control systems in the chemical sector.

  20. Enhanced formulations for neutralization of chemical, biological and industrial toxants

    DOE Patents [OSTI]

    Tucker, Mark D [Albuqueque, NM

    2008-06-24

    An enhanced formulation and method of making that neutralizes the adverse health effects of both chemical and biological compounds, especially chemical warfare (CW) and biological warfare (BW) agents, and toxic industrial chemicals. The enhanced formulation according to the present invention is non-toxic and non-corrosive and can be delivered by a variety of means and in different phases. The formulation provides solubilizing compounds that serve to effectively render the chemical and biological compounds, particularly CW and BW compounds, susceptible to attack, and at least one reactive compound that serves to attack (and detoxify or kill) the compound. The formulation includes at least one solubilizing agent, a reactive compound, a bleaching activator and water.

  1. Chemical Kinetic Modelling

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Kinetic Modelling for Combustion Prof. Henry Curran 1 Copyright ©2016 by Prof Henry Curran. This material is not to be sold, reproduced or distributed without prior written permission of the owner, Prof Henry Curran. 2 Overview/Aims 5 days / 15 lectures Day 1 (1-3) Basic thermodynamic principles Day 2 (4) Basic kinetic principles (5,6) Experimental JSR, FR, RCM & ST contribution to kinetics Day 3 (7-9) Small species mechanism development 3 Overview/Aims 5 days /

  2. ITP Chemicals: Chemical Industry of the Future: New Biocatalysts: Essential Tools for a Sustainable 21st Century Chemical Industry

    Broader source: Energy.gov [DOE]

    This report represents the November 1999 workshop efforts and subsequent contributions of 50 leading scientific and industry experts in biocatalyst use and development.

  3. Reactive formulations for a neutralization of toxic industrial chemicals

    DOE Patents [OSTI]

    Tucker, Mark D.; Betty, Rita G.

    2006-10-24

    Decontamination formulations for neutralization of toxic industrial chemicals, and methods of making and using same. The formulations are effective for neutralizing malathion, hydrogen cyanide, sodium cyanide, butyl isocyanate, carbon disulfide, phosgene gas, capsaicin in commercial pepper spray, chlorine gas, anhydrous ammonia gas; and may be effective at neutralizing hydrogen sulfide, sulfur dioxide, formaldehyde, ethylene oxide, methyl bromide, boron trichloride, fluorine, tetraethyl pyrophosphate, phosphorous trichloride, arsine, and tungsten hexafluoride.

  4. Process modeling and industrial energy use

    SciTech Connect (OSTI)

    Howe, S O; Pilati, D A; Sparrow, F T

    1980-11-01

    How the process models developed at BNL are used to analyze industrial energy use is described and illustrated. Following a brief overview of the industry modeling program, the general methodology of process modeling is discussed. The discussion highlights the important concepts, contents, inputs, and outputs of a typical process model. A model of the US pulp and paper industry is then discussed as a specific application of process modeling methodology. Case study results from the pulp and paper model illustrate how process models can be used to analyze a variety of issues. Applications addressed with the case study results include projections of energy demand, conservation technology assessment, energy-related tax policies, and sensitivity analysis. A subsequent discussion of these results supports the conclusion that industry process models are versatile and powerful tools for energy end-use modeling and conservation analysis. Information on the current status of industry models at BNL is tabulated.

  5. Chemical production from industrial by-product gases: Final report

    SciTech Connect (OSTI)

    Lyke, S.E.; Moore, R.H.

    1981-04-01

    The potential for conservation of natural gas is studied and the technical and economic feasibility and the implementation of ventures to produce such chemicals using carbon monoxide and hydrogen from byproduct gases are determined. A survey was performed of potential chemical products and byproduct gas sources. Byproduct gases from the elemental phosphorus and the iron and steel industries were selected for detailed study. Gas sampling, preliminary design, market surveys, and economic analyses were performed for specific sources in the selected industries. The study showed that production of methanol or ammonia from byproduct gas at the sites studied in the elemental phosphorus and the iron and steel industries is technically feasible but not economically viable under current conditions. Several other applications are identified as having the potential for better economics. The survey performed identified a need for an improved method of recovering carbon monoxide from dilute gases. A modest experimental program was directed toward the development of a permselective membrane to fulfill that need. A practical membrane was not developed but further investigation along the same lines is recommended. (MCW)

  6. In Situ Sensors for the Chemical Industry- Final Report

    SciTech Connect (OSTI)

    Tate, J.D.; Knittel, Trevor

    2006-06-30

    The project focused on analytical techniques that can be applied in situ. The innovative component of this project is the focus on achieving a significant breakthrough in two of the three primary Process Analytical (PA) fields. PA measurements can roughly be broken down into: ? Single component measurements, ? Multiple component measurements and ? Multiple component isomer analysis. This project targeted single component measurements and multiple component measurements with two basic technologies, and to move these measurements to the process, achieving many of the process control needs. During the project the following achievements were made: ? Development of a low cost Tunable Diode Laser (TDL) Analyzer system for measurement of 1) Oxygen in process and combustion applications, 2) part per million (ppm) H2O impurities in aggressive service, 3) ppm CO in large scale combustion systems. This product is now commercially available ? Development of a process pathlength enhanced (high sensitivity) Laser Based Analyzer for measurement of product impurities. This product is now commercially available. ? Development of signal processing methods to eliminate measurement errors in complex and changing backgrounds (critical to chemical industry measurements). This development is incorporated into 2 commercially available products. ? Development of signal processing methods to allow multi-component measurements in complex chemical streams. This development is incorporated into 2 commercially available products. ? Development of process interface designs to allow in-situ application of TDL technology in aggressive (corrosive, high temperature, high pressure) commonly found in chemical processes. This development is incorporated in the commercially available ASI TDL analyzer. ? Field proving of 3 laser-based analyzer systems in process control and combustion applications at Dow Chemical. Laser based analyzers have been available for >5yrs, however significant product price

  7. Cogeneration handbook for the chemical process industries. [Contains glossary

    SciTech Connect (OSTI)

    Fassbender, A.G.; Fassbender, L.L.; Garrett-Price, B.A.; Moore, N.L.; Eakin, D.E.; Gorges, H.A.

    1984-03-01

    The desision of whether to cogenerate involves several considerations, including technical, economic, environmental, legal, and regulatory issues. Each of these issues is addressed separately in this handbook. In addition, a chapter is included on preparing a three-phase work statement, which is needed to guide the design of a cogeneration system. In addition, an annotated bibliography and a glossary of terminology are provided. Appendix A provides an energy-use profile of the chemical industry. Appendices B through O provide specific information that will be called out in subsequent chapters.

  8. Commercialization of Turbulent Combustion Code CREBCOM for Chemical Industry Safety

    SciTech Connect (OSTI)

    Rohatgi, Upendra

    2007-06-30

    This program developed the Kurchatov Institute’s CREBCOM (CRiteria and Experimentally Based COMbustion) code to the point where it could be commercialized and marketed for the special applications described above, as well as for general purpose combustion calculations. The CREBCOM code uses a different approach to model the explosion phenomenon. The code models, with full 3D gas dynamics, the development of an explosion in three characteristics regimes: a) slow flames, b) fast flames, and c) detonation. The transition from one regime to another is governed by a set of empirical criteria and correlations. As part of the commercialization, the code was validated with the use of experimental data. The experimental data covered a range of thermodynamic initial conditions and apparatus scale. Proprietary experimental data were provided to the Kurchatov Institute by the DuPont for this purpose. The flame acceleration and detonation data was obtained from experiments in methane and oxygen enriched air mixtures carried out in two vessels with diameters of 20 and 27 cm. The experimental data covers a wide spectrum of initial temperature (20-525C) and pressure (1-3 atm). As part of this program, the Kurchatov Institute performed experiments in a 52 cm vessel in mixtures of methane-air at room temperature and pressure to be used in the validation of the code. The objective of these tests was to obtain frame acceleration data at a scale close to that found in actual industrial processes. BNL was responsible for managing the DOE/IPP portion of the program, and for satisfying DOE reporting requirements. BNL also participated in an independent assessment of the CREBOM code. DuPont provided proprietary experimental data to the Kurchatov Institute on flame acceleration and detonation in high temperature methane and oxygen enriched air mixtures in addition to the matching fund. In addition, DuPont also supplied to KI instrumentation for pressure and temperature measurement

  9. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

    Miller, J.A.

    1993-12-01

    The goal of this program is to gain qualitative insight into how pollutants are formed in combustion systems and to develop quantitative mathematical models to predict their formation rates. The approach is an integrated one, combining low-pressure flame experiments, chemical kinetics modeling, theory, and kinetics experiments to gain as clear a picture as possible of the process in question. These efforts are focused on problems involved with the nitrogen chemistry of combustion systems and on the formation of soot and PAH in flames.

  10. Hydrogen fuel cells in chemical industry: The assemini project

    SciTech Connect (OSTI)

    Caserza, G.; Bozzoni, T.; Porcino, G.; Pasquinucci, A.

    1996-12-31

    Chemical and petrochemical industries generate large quantities of hydrogen-rich streams, in the range 50%-100% H{sub 2} concentration by volume, as by-products of electrochemical or dehydrogenation processes, or exhausts/purging in hydrogenation processes. Due to safety aspects, and because of the low density, which makes difficult transportation and storage, such streams often constitute a problem for plant managers. In most cases recycling within the plant processes is not possible, and transportation to other sites, generally by truck after compression in cylinders, is not economical. Many of these streams arc therefore simply co-burned in plant boilers, and in some cases even wasted by venting or flaring. Their value ranges from zero (if vented), to the value of the fuel used in the boiler, where they are co-burned.

  11. TECHNOLOGY VISION 2020: The U.S. Chemical Industry | Department of Energy

    Office of Environmental Management (EM)

    TECHNOLOGY VISION 2020: The U.S. Chemical Industry TECHNOLOGY VISION 2020: The U.S. Chemical Industry chem_vision.pdf (309.03 KB) More Documents & Publications ITP Chemicals: Technology Roadmap for Computational Chemistry WORKSHOP: SUSTAINABILITY IN MANUFACTURING, JANUARY 6-7 Manufacturing Innovation Multi-Topic Workshop Report

  12. ITP Chemicals: Industrial Feedstock Flexibility Workshop Results, December 2009

    Broader source: Energy.gov [DOE]

    Report summarizing the results of the August 19–20, 2009, Industrial Feedstock Flexibility Workshop

  13. Chemical Industry R&D Roadmap for Nanomaterials By Design. From Fundamentals to Function

    SciTech Connect (OSTI)

    none,

    2003-12-01

    Vision2020 agreed to join NNI and the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (DOE/EERE) in sponsoring the "Nanomaterials and the Chemical Industry Roadmap Workshop" on September 30-October 2, 2002. This roadmap, Chemical Industry R&D Roadmap for Nanomaterials By Design: From Fundamentals to Function, is based on the scientific priorities expressed by workshop participants from the chemical industry, universities, and government laboratories.

  14. World Energy Projection System Plus Model Documentation: Industrial Model

    Reports and Publications (EIA)

    2011-01-01

    This report documents the objectives, analytical approach and development of the World Energy Projection System Plus (WEPS ) World Industrial Model (WIM). It also catalogues and describes critical assumptions, computational methodology, parameter estimation techniques, and model source code.

  15. Technology Vision 2020 - The U.S. Chemical Industry

    SciTech Connect (OSTI)

    1996-12-01

    The body of this report outlines the current state of the industry, a vision for tomorrow, and the technical advances needed to make this vision a reality.

  16. Changing Trends in the Bulk Chemicals and Pulp and Paper Industries (released in AEO2005)

    Reports and Publications (EIA)

    2005-01-01

    Compared with the experience of the 1990s, rising energy prices in recent years have led to questions about expectations of growth in industrial output, particularly in energy-intensive industries. Given the higher price trends, a review of expected growth trends in selected industries was undertaken as part of the production of Annual Energy Outlook 2005 (AEO). In addition, projections for the industrial value of shipments, which were based on the Standard Industrial Classification (SIC) system in AEO2004, are based on the North American Industry Classification System (NAICS) in AEO2005. The change in industrial classification leads to lower historical growth rates for many industrial sectors. The impacts of these two changes are highlighted in this section for two of the largest energy-consuming industries in the U.S. industrial sector-bulk chemicals and pulp and paper.

  17. Spin-selective recombination kinetics of a model chemical magnetorecep...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Spin-selective recombination kinetics of a model chemical magnetoreceptor Authors: Maeda, ... recombination kinetics of a model chemical magnetoreceptor Source: Chemical ...

  18. Profile of the chemicals industry in California: Californiaindustries of the future program

    SciTech Connect (OSTI)

    Galitsky, Christina; Worrell, Ernst

    2004-06-01

    The U.S. Department of Energy (DOE) Office of Industrial Technologies (OIT) established the Industries of the Future (IOF) program to increase energy efficiency, reduce waste production and to improve competitiveness, currently focusing on nine sectors. The IOF is a partnership strategy involving industry, the research community and the government, working together to identify technology needs, promote industrial partnerships and implement joint measures with all partners involved. The State Industries of the Future (SIOF) program delivers the accomplishments of the national Industries of the Future strategy to the local level, to expand the technology opportunities to a larger number of partners and reach smaller businesses and manufacturers that were not initially involved in the IOF effort. The state programs bring together industry, academia, and state agencies to address the important issues confronting industry in the state. These public-private coalitions facilitate industry solutions locally and enhance economic development. California has started a State Industries of the Future effort, in collaboration with the U.S. Department of Energy. The California Energy Commission (CEC) is leading the SIOF program in California, as part of many other programs to improve the energy efficiency and performance of industries in California. The California State IOF program aims to build a network of participants from industry, academia and government in four selected industrial sectors as a basis for the development of a strategic partnership for industrial energy efficient technology in the state. In California the IOF effort focuses petroleum refining, chemical processing, food processing and electronics. As part of this effort, the SIOF program will develop roadmaps for technology development for the selected sectors. On the basis of the roadmap, the program will develop successful projects with co-funding from state and federal government, and promote industry

  19. Green alternatives to toxic release inventory (TRI) chemicals in the process industry

    SciTech Connect (OSTI)

    Ahmed, I.; Baron, J.; Hamilton, C.

    1995-12-01

    Driven by TRI reporting requirements, the chemical process industry is searching for innovative ways to reduce pollution at the source. Distinct environmental advantages of biobased green chemicals (biochemicals) mean are attractive alternatives to petrochemicals. Biochemicals are made from renewable raw materials in biological processes, such as aerobic and anaerobic fermentation, that operate at ambient temperatures and pressures, and produce only nontoxic waste products. Key TRI chemicals and several classes of commodity and intermediate compounds, used on consumer end-products manufacturing, are examined and alternatives are suggested. Specific substitution options for chlorofluorocarbons, industrial solvents, and commodity organic and inorganic chemicals are reviewed. Currently encouraged pollution prevention alternatives in the manufacturing sector are briefly examined for their long-term feasibility such as bioalternatives to bleaching in the pulp & paper industry, solvent cleaning in the electronics and dry cleaning industries, and using petroleum-based feedstocks in the plastics industry. Total life cycle and cost/benefit analyses are employed to determine whether biochemicals are environmentally feasible and commercially viable as pollution prevention tools. Currently available green chemicals along with present and projected costs and premiums are also presented. Functional compatibility of biochemicals with petrochemicals and bioprocessing systems with conventional chemical processing methods are explored. This review demonstrates that biochemicals can be used cost effectively in certain industrial chemical operations due to their added environmental benefits.

  20. Implementation Plan for Chemical Industry R&D Roadmap for Nanomaterials by Design

    SciTech Connect (OSTI)

    none,

    2006-04-01

    The purpose of this effort is to develop an implementation plan to realize the vision and goals identified in the Chemical Industry R&D Roadmap for Nanomaterials By Design: From Fundamentals to Function.

  1. Chemical Kinetic Modeling of Advanced Transportation Fuels

    SciTech Connect (OSTI)

    PItz, W J; Westbrook, C K; Herbinet, O

    2009-01-20

    Development of detailed chemical kinetic models for advanced petroleum-based and nonpetroleum based fuels is a difficult challenge because of the hundreds to thousands of different components in these fuels and because some of these fuels contain components that have not been considered in the past. It is important to develop detailed chemical kinetic models for these fuels since the models can be put into engine simulation codes used for optimizing engine design for maximum efficiency and minimal pollutant emissions. For example, these chemistry-enabled engine codes can be used to optimize combustion chamber shape and fuel injection timing. They also allow insight into how the composition of advanced petroleum-based and non-petroleum based fuels affect engine performance characteristics. Additionally, chemical kinetic models can be used separately to interpret important in-cylinder experimental data and gain insight into advanced engine combustion processes such as HCCI and lean burn engines. The objectives are: (1) Develop detailed chemical kinetic reaction models for components of advanced petroleum-based and non-petroleum based fuels. These fuels models include components from vegetable-oil-derived biodiesel, oil-sand derived fuel, alcohol fuels and other advanced bio-based and alternative fuels. (2) Develop detailed chemical kinetic reaction models for mixtures of non-petroleum and petroleum-based components to represent real fuels and lead to efficient reduced combustion models needed for engine modeling codes. (3) Characterize the role of fuel composition on efficiency and pollutant emissions from practical automotive engines.

  2. Industry Applications Society 42. annual petroleum and chemical industry conference: Record of conference papers

    SciTech Connect (OSTI)

    1995-12-31

    Thirty-six papers were presented relating to electrical equipment in petroleum, petrochemical, and chemical plants. They are arranged under the following topical sections: general technical program; refining subcommittee; chemical subcommittee; production subcommittee; transportation subcommittee; electrochemical subcommittee; and general session safety. All papers have been processed separately for inclusion on the data base.

  3. Policy modeling for industrial energy use

    SciTech Connect (OSTI)

    Worrell, Ernst; Park, Hi-Chun; Lee, Sang-Gon; Jung, Yonghun; Kato, Hiroyuki; Ramesohl, Stephan; Boyd, Gale; Eichhammer, Wolfgang; Nyboer, John; Jaccard, Mark; Nordqvist, Joakim; Boyd, Christopher; Klee, Howard; Anglani, Norma; Biermans, Gijs

    2003-03-01

    The international workshop on Policy Modeling for Industrial Energy Use was jointly organized by EETA (Professional Network for Engineering Economic Technology Analysis) and INEDIS (International Network for Energy Demand Analysis in the Industrial Sector). The workshop has helped to layout the needs and challenges to include policy more explicitly in energy-efficiency modeling. The current state-of-the-art models have a proven track record in forecasting future trends under conditions similar to those faced in the recent past. However, the future of energy policy in a climate-restrained world is likely to demand different and additional services to be provided by energy modelers. In this workshop some of the international models used to make energy consumption forecasts have been discussed as well as innovations to enable the modeling of policy scenarios. This was followed by the discussion of future challenges, new insights in the data needed to determine the inputs into energy model s, and methods to incorporate decision making and policy in the models. Based on the discussion the workshop participants came to the following conclusions and recommendations: Current energy models are already complex, and it is already difficult to collect the model inputs. Hence, new approaches should be transparent and not lead to extremely complex models that try to ''do everything''. The model structure will be determined by the questions that need to be answered. A good understanding of the decision making framework of policy makers and clear communication on the needs are essential to make any future energy modeling effort successful. There is a need to better understand the effects of policy on future energy use, emissions and the economy. To allow the inclusion of policy instruments in models, evaluation of programs and instruments is essential, and need to be included in the policy instrument design. Increased efforts are needed to better understand the effects of

  4. Clean Energy Bond Finance Model: Industrial Development Bonds (IDBs) |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Bond Finance Model: Industrial Development Bonds (IDBs) Clean Energy Bond Finance Model: Industrial Development Bonds (IDBs) Overview of industrial development bonds. Author: Clean Energy and Bond Finance Initiative (CE+BFI) Industrial Development Bonds (IDBs) Fact Sheet More Documents & Publications Reduce Risk, Increase Clean Energy: How States and Cities are Using Old Finance Tools to Scale Up a New Industry Clean Energy and Bond Finance Initiative Financing

  5. Federal agencies active in chemical industry-related research and development

    SciTech Connect (OSTI)

    1995-09-29

    The Energy Policy Act of 1992 calls for a program to further the commercialization of renewable energy and energy efficient technologies for the industrial sector.. The primary objective of the Office of Industrial Technologies Chemical Industry Team is to work in partnership with the US chemical industry to maximize economic, energy, and environmental benefits through research and development of innovative technologies. This document was developed to inventory organizations within the federal government on current chemical industry-related research and development. While an amount of funding or number of projects specifically relating to chemical industry research and development was not defined in all organizations, identified were about 60 distinct organizations representing 7 cabinet-level departments and 4 independent agencies, with research efforts exceeding $3.5 billion in fiscal year 1995. Effort were found to range from less than $500 thousand per year at the Departments of Agriculture and the Interior to over $100 million per year at the Departments of Commerce, Defense, Energy, and Health and Human Services and the National Aeronautics and Space Administration. The total number of projects in these programs exceeded 10,000. This document is complete to the extent that agencies volunteered information. Additions, corrections, and changes are encouraged and will be incorporated in future revisions.

  6. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...

    Broader source: Energy.gov (indexed) [DOE]

    Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of ... Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization ...

  7. Computer Modeling of Chemical and Geochemical Processes in High...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Computer modeling of chemical and geochemical processes in high ionic strength solutions ... in brine Computer modeling of chemical and geochemical processes in high ionic ...

  8. Analysis and Reduction of Chemical Models under Uncertainty ...

    Office of Scientific and Technical Information (OSTI)

    Analysis and Reduction of Chemical Models under Uncertainty Citation Details In-Document Search Title: Analysis and Reduction of Chemical Models under Uncertainty Abstract not ...

  9. Chiral random matrix model at finite chemical potential: Characteristi...

    Office of Scientific and Technical Information (OSTI)

    Chiral random matrix model at finite chemical potential: Characteristic determinant and edge universality Prev Next Title: Chiral random matrix model at finite chemical ...

  10. Wastewater treatment: Chemical industry. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect (OSTI)

    1996-01-01

    The bibliography contains citations concerning wastewater treatment in the chemical industry relative to a wide variety of industrial pollutants. Biological treatments including carbon additives are described relative to effectiveness. The removal of mercury and its compounds is included, as well as associated problems and recommendations for fertilizer and pesticide pollution. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  11. Wastewater treatment: Chemical industry. (Latest citations from the NTIS Bibliographic database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1993-11-01

    The bibliography contains citations concerning wastewater treatment in the chemical industry relative to a wide variety of industrial pollutants. Biological treatments including carbon additives are described relative to effectiveness. The removal of mercury and its compounds is included, as well as associated problems and recommendations for fertilizer and pesticide pollution. (Contains a minimum of 181 citations and includes a subject term index and title list.)

  12. Wastewater treatment: Chemical industry. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1994-12-01

    The bibliography contains citations concerning wastewater treatment in the chemical industry relative to a wide variety of industrial pollutants. Biological treatments including carbon additives are described relative to effectiveness. The removal of mercury and its compounds is included, as well as associated problems and recommendations for fertilizer and pesticide pollution. (Contains a minimum of 204 citations and includes a subject term index and title list.)

  13. US Energy Service Company Industry: History and Business Models |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy US Energy Service Company Industry: History and Business Models US Energy Service Company Industry: History and Business Models Information about the history of US Energy Service Company including industry history, setbacks, and lessons learned. session_1_financing_track_gilligan_en.pdf (310.42 KB) session_1_financing_track_gilligan_cn.pdf (877.96 KB) More Documents & Publications U.S. Energy Service Company (ESCO) Industry and Market Trends

  14. Air modeling of industrial area in India

    SciTech Connect (OSTI)

    Kumar, A.

    1996-12-31

    With privatization of power sector to fulfill power demand in India, fossil based power projects are proposed at different locations by Indian and foreign companies. As power industry occupies key role in the economic liberalization, the siting and technology for power plant are relevant in the Indian context, and modeling exercise is wanted for the design of stacks and pollution control measures. A case history is included to demonstrate the use of air quality modeling in prediction, and to delineate mitigation measures. Study has been conducted with Gaussian dispersion model to assess the incremental 24 hour maximum Ground Level Concentrations (GLCs) of SO{sub 2}, NO{sub x}, SPM due to proposed power plant. Stack and emission data, wind velocity, wind direction, temperature, mixing height, and stability classes are used as input parameters to the dispersion model. Maximum 24 hour GLCs of SO{sub 2}, NO{sub x}, and SPM are 30, 53, 2.5 {mu}g/m at 2 km east as down wind direction is from west (35%), south-southwest (25%), and west-northwest (15%). Northeast is the most affected quadrant during summer. Plume loopings are assessed from southeast to northeast directions, with maximum concentration in the east with respect to the site. First plume loop is assessed at 2 km distance, and subsequent loops are assessed with less pollutants concentration under atmospheric stability classes (B-E). High concentration of NO{sub x} has been assessed, which may cause hazardous effect like dense fog, particulate droplets, whereas SO{sub 2} concentration may cause acid raining, acid deposition to the surrounding. Proper air pollution control measures are required to minimize NO{sub x} levels.

  15. Model Documentation Report: Industrial Sector Demand Module...

    Gasoline and Diesel Fuel Update (EIA)

    factors are multiplicative for all fuels which have values greater than zero and are additive otherwise. The equation for total industrial electricity consumption is below....

  16. Experiment-Based Model for the Chemical Interactions between...

    Broader source: Energy.gov (indexed) [DOE]

    Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, ... Enhanced Geothermal Systems (EGS) with CO2as Heat Transmission Fluid Chemical Impact of ...

  17. Industry

    SciTech Connect (OSTI)

    Bernstein, Lenny; Roy, Joyashree; Delhotal, K. Casey; Harnisch, Jochen; Matsuhashi, Ryuji; Price, Lynn; Tanaka, Kanako; Worrell, Ernst; Yamba, Francis; Fengqi, Zhou; de la Rue du Can, Stephane; Gielen, Dolf; Joosen, Suzanne; Konar, Manaswita; Matysek, Anna; Miner, Reid; Okazaki, Teruo; Sanders, Johan; Sheinbaum Parado, Claudia

    2007-12-01

    This chapter addresses past, ongoing, and short (to 2010) and medium-term (to 2030) future actions that can be taken to mitigate GHG emissions from the manufacturing and process industries. Globally, and in most countries, CO{sub 2} accounts for more than 90% of CO{sub 2}-eq GHG emissions from the industrial sector (Price et al., 2006; US EPA, 2006b). These CO{sub 2} emissions arise from three sources: (1) the use of fossil fuels for energy, either directly by industry for heat and power generation or indirectly in the generation of purchased electricity and steam; (2) non-energy uses of fossil fuels in chemical processing and metal smelting; and (3) non-fossil fuel sources, for example cement and lime manufacture. Industrial processes also emit other GHGs, e.g.: (1) Nitrous oxide (N{sub 2}O) is emitted as a byproduct of adipic acid, nitric acid and caprolactam production; (2) HFC-23 is emitted as a byproduct of HCFC-22 production, a refrigerant, and also used in fluoroplastics manufacture; (3) Perfluorocarbons (PFCs) are emitted as byproducts of aluminium smelting and in semiconductor manufacture; (4) Sulphur hexafluoride (SF{sub 6}) is emitted in the manufacture, use and, decommissioning of gas insulated electrical switchgear, during the production of flat screen panels and semiconductors, from magnesium die casting and other industrial applications; (5) Methane (CH{sub 4}) is emitted as a byproduct of some chemical processes; and (6) CH{sub 4} and N{sub 2}O can be emitted by food industry waste streams. Many GHG emission mitigation options have been developed for the industrial sector. They fall into three categories: operating procedures, sector-wide technologies and process-specific technologies. A sampling of these options is discussed in Sections 7.2-7.4. The short- and medium-term potential for and cost of all classes of options are discussed in Section 7.5, barriers to the application of these options are addressed in Section 7.6 and the implication of

  18. Energy use and energy intensity of the U.S. chemical industry

    SciTech Connect (OSTI)

    Worrell, E.; Phylipsen, D.; Einstein, D.; Martin, N.

    2000-04-01

    The U.S. chemical industry is the largest in the world, and responsible for about 11% of the U.S. industrial production measured as value added. It consumes approximately 20% of total industrial energy consumption in the U.S. (1994), and contributes in similar proportions to U.S. greenhouse gas emissions. Surprisingly, there is not much information on energy use and energy intensity in the chemical industry available in the public domain. This report provides detailed information on energy use and energy intensity for the major groups of energy-intensive chemical products. Ethylene production is the major product in terms of production volume of the petrochemical industry. The petrochemical industry (SIC 2869) produces a wide variety of products. However, most energy is used for a small number of intermediate compounds, of which ethylene is the most important one. Based on a detailed assessment we estimate fuel use for ethylene manufacture at 520 PJ (LHV), excluding feedstock use. Energy intensity is estimated at 26 GJ/tonne ethylene (LHV), excluding feedstocks.The nitrogenous fertilizer production is a very energy intensive industry, producing a variety of fertilizers and other nitrogen-compounds. Ammonia is the most important intermediate chemical compound, used as basis for almost all products. Fuel use is estimated at 268 PJ (excluding feedstocks) while 368 PJ natural gas is used as feedstock. Electricity consumption is estimated at 14 PJ. We estimate the energy intensity of ammonia manufacture at 39.3 GJ/tonne (including feedstocks, HHV) and 140 kWh/tonne, resulting in a specific primary energy consumption of 40.9 GJ/tonne (HHV), equivalent to 37.1 GJ/tonne (LHV). Excluding natural gas use for feedstocks the primary energy consumption is estimated at 16.7 GJ/tonne (LHV). The third most important product from an energy perspective is the production of chlorine and caustic soda. Chlorine is produced through electrolysis of a salt-solution. Chlorine production is

  19. Thermal, chemical, and mechanical cookoff modeling

    SciTech Connect (OSTI)

    Hobbs, M.L.; Baer, M.R.; Gross, R.J.

    1994-08-01

    A Thermally Reactive, Elastic-plastic eXplosive code, TREX, has been developed to analyze coupled thermal, chemical and mechanical effects associated with cookoff simulation of confined or unconfined energetic materials. In confined systems, pressure buildup precedes thermal runaway, and unconfined energetic material expands to relieve high stress. The model was developed based on nucleation, decomposition chemistry, and elastic/plastic mechanical behavior of a material with a distribution of internal defects represented as clusters of spherical inclusions. A local force balance, with mass continuity constraints, forms the basis of the model requiring input of temperature and reacted gas fraction. This constitutive material model has been incorporated into a quasistatic mechanics code SANTOS as a material module which predicts stress history associated with a given strain history. The thermal-chemical solver XCHEM has been coupled to SANTOS to provide temperature and reacted gas fraction. Predicted spatial history variables include temperature, chemical species, solid/gas pressure, solid/gas density, local yield stress, and gas volume fraction. One-Dimensional Time to explosion (ODTX) experiments for TATB and PBX 9404 (HMX and NC) are simulated using global multistep kinetic mechanisms and the reactive elastic-plastic constitutive model. Pressure explosions, rather than thermal runaway, result in modeling slow cookoff experiments of confined conventional energetic materials such as TATB. For PBX 9404, pressure explosions also occur at fast cookoff conditions because of low temperature reactions of nitrocellulose resulting in substantial pressurization. A demonstrative calculation is also presented for reactive heat flow in a hollow, propellant-filled, stainless steel cylinder, representing a rocket motor. This example simulation show

  20. Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1993-05-01

    The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 250 citations and includes a subject term index and title list.)

  1. Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect (OSTI)

    1996-04-01

    The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  2. Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1994-01-01

    The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 250 citations and includes a subject term index and title list.)

  3. Waste processing and pollution in the chemical and petrochemical industries. (Latest citations from the NTIS bibliographic database). Published Search

    SciTech Connect (OSTI)

    1995-02-01

    The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 250 citations and includes a subject term index and title list.)

  4. Industrialization of Biology. A Roadmap to Accelerate the Advanced Manufacturing of Chemicals

    SciTech Connect (OSTI)

    Friedman, Douglas C.

    2015-09-01

    The report stresses the need for efforts to inform the public of the nature of industrial biotechnology and of its societal benefits, and to make sure that concerns are communicated effectively between the public and other stakeholders. In addition to scientific advances, a number of governance and societal factors will influence the industrialization of biology. Industry norms and standards need to be established in areas such as read/write accuracy for DNA, data and machine technology specifications, and organism performance in terms of production rates and yields. An updated regulatory regime is also needed to accelerate the safe commercialization of new host organisms, metabolic pathways, and chemical products, and regulations should be coordinated across nations to enable rapid, safe, and global access to new technologies and products.

  5. Early opportunities of CO₂ geological storage deployment in coal chemical industry in China

    SciTech Connect (OSTI)

    Wei, Ning; Li, Xiaochun; Liu, Shengnan; Dahowski, R. T.; Davidson, C. L.

    2014-12-31

    Carbon dioxide capture and geological storage (CCS) is regarded as a promising option for climate change mitigation; however, the high capture cost is the major barrier to large-scale deployment of CCS technologies. High-purity CO₂ emission sources can reduce or even avoid the capture requirements and costs. Among these high-purity CO₂ sources, certain coal chemical industry processes are very important, especially in China. In this paper, the basic characteristics of coal chemical industries in China is investigated and analyzed. As of 2013 there were more than 100 coal chemical plants in operation. These emission sources together emit 430 million tons CO₂ per year, of which about 30% are emit high-purity and pure CO₂ (CO₂ concentration >80% and >98.5% respectively). Four typical source-sink pairs are chosen for techno-economic evaluation, including site screening and selection, source-sink matching, concept design, and economic evaluation. The technical-economic evaluation shows that the levelized cost of a CO₂ capture and aquifer storage project in the coal chemistry industry ranges from 14 USD/t to 17 USD/t CO₂. When a 15USD/t CO₂ tax and 20USD/t for CO₂ sold to EOR are considered, the levelized cost of CCS project are negative, which suggests a benefit from some of these CCS projects. This might provide China early opportunities to deploy and scale-up CCS projects in the near future.

  6. Early opportunities of CO₂ geological storage deployment in coal chemical industry in China

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wei, Ning; Li, Xiaochun; Liu, Shengnan; Dahowski, R. T.; Davidson, C. L.

    2014-12-31

    Carbon dioxide capture and geological storage (CCS) is regarded as a promising option for climate change mitigation; however, the high capture cost is the major barrier to large-scale deployment of CCS technologies. High-purity CO₂ emission sources can reduce or even avoid the capture requirements and costs. Among these high-purity CO₂ sources, certain coal chemical industry processes are very important, especially in China. In this paper, the basic characteristics of coal chemical industries in China is investigated and analyzed. As of 2013 there were more than 100 coal chemical plants in operation. These emission sources together emit 430 million tons CO₂more » per year, of which about 30% are emit high-purity and pure CO₂ (CO₂ concentration >80% and >98.5% respectively). Four typical source-sink pairs are chosen for techno-economic evaluation, including site screening and selection, source-sink matching, concept design, and economic evaluation. The technical-economic evaluation shows that the levelized cost of a CO₂ capture and aquifer storage project in the coal chemistry industry ranges from 14 USD/t to 17 USD/t CO₂. When a 15USD/t CO₂ tax and 20USD/t for CO₂ sold to EOR are considered, the levelized cost of CCS project are negative, which suggests a benefit from some of these CCS projects. This might provide China early opportunities to deploy and scale-up CCS projects in the near future.« less

  7. Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Optimization of Enhanced Geothermal System Development and Production | Department of Energy Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Coupled Thermal-Hydrological-Mechanical-Chemical Model and Experiments for Optimization of Enhanced Geothermal System Development and Production Project objective: Develop a novel Thermal-Hydrological-Mechanical-Chemical (THMC) modeling tool.

  8. KIVA--Hydrodynamics Model for Chemically Reacting Flow with Spray - Energy

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Innovation Portal Vehicles and Fuels Vehicles and Fuels Industrial Technologies Industrial Technologies Energy Analysis Energy Analysis Find More Like This Return to Search KIVA--Hydrodynamics Model for Chemically Reacting Flow with Spray Los Alamos National Laboratory Contact LANL About This Technology Simulation of an experimental engine with DOHC quasi-symmetric pent-roof combustion chamber and 4 valves. Simulation of an experimental engine with DOHC quasi-symmetric pent-roof combustion

  9. Early opportunities of CO2 geological storage deployment in coal chemical industry in China

    SciTech Connect (OSTI)

    Wei, Ning; Li, Xiaochun; Liu, Shengnan; Dahowski, Robert T.; Davidson, Casie L.

    2014-11-12

    Abstract: Carbon dioxide capture and geological storage (CCS) is regarded as a promising option for climate change mitigation; however, the high capture cost is the major barrier to large-scale deployment of CCS technologies. High-purity CO2 emission sources can reduce or even avoid the capture requirements and costs. Among these high-purity CO2 sources, certain coal chemical industry processes are very important, especially in China. In this paper, the basic characteristics of coal chemical industries in China is investigated and analyzed. As of 2013 there were more than 100 coal chemical plants in operation or in late planning stages. These emission sources together emit 430 million tons CO2 per year, of which about 30% are emit high-purity and pure CO2 (CO2 concentration >80% and >99% respectively).Four typical source-sink pairs are studied by a techno-economic evaluation, including site screening and selection, source-sink matching, concept design, and experienced economic evaluation. The technical-economic evaluation shows that the levelized cost of a CO2 capture and aquifer storage project in the coal chemistry industry ranges from 14 USD/t to 17 USD/t CO2. When a 15USD/t CO2 tax and 15USD/t for CO2 sold to EOR are considered, the levelized cost of CCS project are negative, which suggests a net economic benefit from some of these CCS projects. This might provide China early opportunities to deploy and scale-up CCS projects in the near future.

  10. Steam system opportunity assessment for the pulp and paper, chemical manufacturing, and petroleum refining industries: Main report

    SciTech Connect (OSTI)

    None, None

    2002-10-01

    This report assesses steam generation and use in the pulp and paper, chemical, and petroleum refining industries, and estimates the potential for energy savings from implementation of steam system performance and efficiency improvements.

  11. Estimated Energy Savings and Financial Impacts of Nanomaterials by Design on Selected Applications in the Chemical Industry

    SciTech Connect (OSTI)

    Thayer, Gary R.; Roach, J. Fred; Dauelsberg, Lori

    2006-03-01

    This study provides a preliminary analysis of the potential impact that nanotechnology could have on energy efficiency, economic competitiveness, waste reduction, and productivity, in the chemical and related industries.

  12. Proceedings: Strategic research meeting on electrotechnologies in the chemicals and petroleum industries

    SciTech Connect (OSTI)

    1997-10-01

    A documentation of the Strategic Research and Development Meeting of the Chemicals and Petroleum Target in the EPRI Customer Services Group, which was held in Palo Alto, July 21-22, 1997, is presented here. Included are both the business background, discussed by EPRI representatives, and the electrotechnology program reports that were presented by investigators in the various fields. The heart of the meeting was the discussion sessions, which were held the second day. Recommendations included continuing support for electroseparations, microwave-induced synthesis and electrochemically-induced reactions, support for roadmapping activities, a strong recommendation that EPRI continue to improve its information dissemination program, and especially to clarify and strengthen access to and use of existing technologies by the Chemicals and Petroleum Industries. It was strongly requested that new, innovative ways be found to accommodate the major customers of the chemicals and petroleum target area, so that they can approach more closely some of the membership benefits, especially in the technologies associated with the Chemicals and Petroleum fields.

  13. Wastewater treatment: Chemical industry. January 1980-March 1992 (Citations from the NTIS Data Base). Rept. for Jan 80-Mar 92

    SciTech Connect (OSTI)

    Not Available

    1992-02-01

    The bibliography contains citations concerning wastewater treatment in the chemical industry relative to a wide variety of industrial pollutants. Biological treatments including carbon additives are described relative to effectiveness. The removal of mercury and its compounds are included, as well as associated problems and recommendations from fertilizer and pesticide pollution. (Contains 80 citations with title list and subject index.)

  14. Multidimensional thermal-chemical cookoff modeling

    SciTech Connect (OSTI)

    Baer, M.R.; Gross, R.J.; Gartling, D.K.; Hobbs, M.L.

    1994-08-01

    Multidimensional thermal/chemical modeling is an essential step in the development of a predictive capability for cookoff of energetic materials in systems subjected to abnormal thermal environments. COYOTE II is a state-of-the-art two- and three-dimensional finite element code for the solution of heat conduction problems including surface-to-surface thermal radiation heat transfer and decomposition chemistry. Multistep finite rate chemistry is incorporated into COYOTE II using an operator-splitting methodology; rate equations are solved element-by-element with a modified matrix-free stiff solver, CHEMEQ. COYOTE II is purposely designed with a user-oriented input structure compatible with the database, the pre-processing mesh generation, and the post-processing tools for data visualization shared with other engineering analysis codes available at Sandia National Laboratories. As demonstrated in a companion paper, decomposition during cookoff in a confined or semi-confined system leads to significant mechanical behavior. Although mechanical effect are not presently considered in COYOTE II, the formalism for including mechanics in multidimensions is under development.

  15. New model predicts once-mysterious chemical reactions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    New model predicts once-mysterious chemical reactions New model predicts once-mysterious chemical reactions Results will also be used to understand basic questions about nature such as the cooling mechanisms of the early universe and the formation of planets and stars. June 28, 2016 Mark Zammit, of Los Alamos' Physics and Chemistry of Materials group, is part of a team that developed a theoretical model to forecast the fundamental chemical reactions involving molecular hydrogen. Photo credit

  16. Experiment-Based Model for the Chemical Interactions between Geothermal

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Rocks, Supercritical Carbon Dioxide and Water | Department of Energy Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water presentation at the April 2013 peer review meeting held in Denver,

  17. Martin Karplus and Computer Modeling for Chemical Systems

    Office of Scientific and Technical Information (OSTI)

    Information Additional information about Martin Karplus, computer modeling, and chemical systems is available in electronic documents and on the Web. Documents: Comparison of 3D...

  18. Environmental Cracking of Corrosion Resistant Alloys in the Chemical Process Industry - A Review

    SciTech Connect (OSTI)

    Rebak, R B

    2006-12-04

    A large variety of corrosion resistant alloys are used regularly in the chemical process industry (CPI). The most common family of alloys include the iron (Fe)-based stainless steels, nickel (Ni) alloys and titanium (Ti) alloys. There also other corrosion resistant alloys but their family of alloys is not as large as for the three groups mentioned above. All ranges of corrosive environments can be found in the CPI, from caustic solutions to hot acidic environments, from highly reducing to highly oxidizing. Stainless steels are ubiquitous since numerous types of stainless steels exist, each type tailored for specific applications. In general, stainless steels suffer stress corrosion cracking (SCC) in hot chloride environments while high Ni alloys are practically immune to this type of attack. High nickel alloys are also resistant to caustic cracking. Ti alloys find application in highly oxidizing solutions. Solutions containing fluoride ions, especially acid, seem to be aggressive to almost all corrosion resistant alloys.

  19. Coupled Physical/Chemical and Biofiltration Technologies to Reduce Air Emissions from Forest Products Industries

    SciTech Connect (OSTI)

    Gary D. McGinnis

    2001-12-31

    The research is a laboratory and bench-scale investigation of a system to concentrate and destroy volatile organic compounds (VOCs), including hazardous air pollutants, formed from the drying of wood and the manufacture of wood board products (e.g., particle board and oriented strandboard). The approach that was investigated involved concentrating the dilute VOCs (<500 ppmv) with a physical/chemical adsorption unit, followed by the treatment of the concentrated voc stream (2,000 to 2,500 ppmv) with a biofiltration unit. The research program lasted three years, and involved three research organizations. Michigan Technological University was the primary recipient of the financial assistance, the USDA Forest Products Laboratory (FPL) and Mississippi State University (MSU) were subcontractors to MTU. The ultimate objective of this research was to develop a pilot-scale demonstration of the technology with sufficient data to provide for the design of an industrial system. No commercialization activities were included in this project.

  20. The OSHA and EPA programs on preventing chemical accidents and potential applications in the photovoltaic industry

    SciTech Connect (OSTI)

    Fthenakis, V.M.

    1996-08-01

    OSHA issued in 1992, the Process Safety Management (PSM) of Highly Hazardous Substances. This rule requires owners/operators of facilities that handle hazardous chemicals in quantities greater than the listed thresholds to establish all the elements of a PSM. EPA has issued in June 1996, the rules for a Risk Management Program which also refers to specific substances and threshold quantities. These rules are applicable to all the facilities that use or store any of 139 regulated substances at quantities ranging from 100 lb to 10,000 lb. The RMP rule covers off-site hazards, while the OSHA Process Safety Management (PSM) rule covers worker safety issues within the plant boundary. Some of the listed substances may be found in photovoltaic manufacturing facilities. This brief report presents the basic elements of these two rules and discusses their potential applicability in the photovoltaic industry.

  1. ISTUM PC: industrial sector technology use model for the IBM-PC

    SciTech Connect (OSTI)

    Roop, J.M.; Kaplan, D.T.

    1984-09-01

    A project to improve and enhance the Industrial Sector Technology Use Model (ISTUM) was originated in the summer of 1983. The project had dix identifiable objectives: update the data base; improve run-time efficiency; revise the reference base case; conduct case studies; provide technical and promotional seminars; and organize a service bureau. This interim report describes which of these objectives have been met and which tasks remain to be completed. The most dramatic achievement has been in the area of run-time efficiency. From a model that required a large proportion of the total resources of a mainframe computer and a great deal of effort to operate, the current version of the model (ISTUM-PC) runs on an IBM Personal Computer. The reorganization required for the model to run on a PC has additional advantages: the modular programs are somewhat easier to understand and the data base is more accessible and easier to use. A simple description of the logic of the model is given in this report. To generate the necessary funds for completion of the model, a multiclient project is proposed. This project will extend the industry coverage to all the industrial sectors, including the construction of process flow models for chemicals and petroleum refining. The project will also calibrate this model to historical data and construct a base case and alternative scenarios. The model will be delivered to clients and training provided. 2 references, 4 figures, 3 tables.

  2. Engineered Barrier System: Physical and Chemical Environment Model

    SciTech Connect (OSTI)

    D. M. Jolley; R. Jarek; P. Mariner

    2004-02-09

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  3. Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation

    SciTech Connect (OSTI)

    Silke, E J; Pitz, W J; Westbrook, C K; Ribaucour, M

    2006-11-10

    A detailed chemical kinetic mechanism has been developed and used to study the oxidation of cyclohexane at both low and high temperatures. Reaction rate constant rules are developed for the low temperature combustion of cyclohexane. These rules can be used for in chemical kinetic mechanisms for other cycloalkanes. Since cyclohexane produces only one type of cyclohexyl radical, much of the low temperature chemistry of cyclohexane is described in terms of one potential energy diagram showing the reaction of cyclohexyl radical + O{sub 2} through five, six and seven membered ring transition states. The direct elimination of cyclohexene and HO{sub 2} from RO{sub 2} is included in the treatment using a modified rate constant of Cavallotti et al. Published and unpublished data from the Lille rapid compression machine, as well as jet-stirred reactor data are used to validate the mechanism. The effect of heat loss is included in the simulations, an improvement on previous studies on cyclohexane. Calculations indicated that the production of 1,2-epoxycyclohexane observed in the experiments can not be simulated based on the current understanding of low temperature chemistry. Possible 'alternative' H-atom isomerizations leading to different products from the parent O{sub 2}QOOH radical were included in the low temperature chemical kinetic mechanism and were found to play a significant role.

  4. New models for success emerge for US natural gas industry

    SciTech Connect (OSTI)

    Addy, W.M. ); Hutchinson, R.A. )

    1994-11-14

    Very few companies in the US natural gas industry are confident in their ability to compete effectively in the brave new world of deregulation. Boston Consulting Group recently conducted an internal study to help the industry think about its future and identify models for success in this new environment. The authors examined the historical performance of 800 companies using several shareholder-value indicators, including cash-flow returns on investment, a measure of cash returns on cash invested that correlates closely to share price. Based on that review and discussions with investment managers and industry analysts, the authors were able to focus on a handful of companies that actually have thrived and created value against the difficult landscape of the past decade. Interviews with their senior executives provided important strategic and operational insights.

  5. Model documentation report: Industrial sector demand module of the national energy modeling system

    SciTech Connect (OSTI)

    1998-01-01

    This report documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Industrial Demand Model. The report catalogues and describes model assumptions, computational methodology, parameter estimation techniques, and model source code. This document serves three purposes. First, it is a reference document providing a detailed description of the NEMS Industrial Model for model analysts, users, and the public. Second, this report meets the legal requirements of the Energy Information Administration (EIA) to provide adequate documentation in support of its model. Third, it facilitates continuity in model development by providing documentation from which energy analysts can undertake model enhancements, data updates, and parameter refinements as future projects.

  6. Fate and control of blistering chemical warfare agents in Kuwait`s desalination industry

    SciTech Connect (OSTI)

    Khordagui, H.K.

    1997-01-01

    Kuwait, as most of the other states located along the Western shores of the Arabian Gulf, relies upon the Gulf as its main drinking water resource via desalination. In case of seawater contamination with blistering chemical warfare agents, traces of the agents and/or degradation products in the finished water might pose a serious health hazard. The objective of the present review is to study the potential contamination, transport, fate, effect and control of blistering chemical warfare agents (CWAs), in the Kuwaiti desalination industry. In general, all the environmental factors involved in the aquatic degradation of CWAs in Kuwait marine environment except for the high salinity in case of blistering agents such as sulphur mustard, and in favor of a fast degradation process. In case of massive releases of CWAs near the Kuwaiti shorelines, turbulence resulting from tidal cycles and high temperature will affect the dissolution process and extend the toxicity of the insoluble agent. Post- and pre-chlorination during the course of seawater desalination will catalyze and significantly accelerate the hydrolysis processes of the CWAs. The heat exerted on CWAs during the power generation-desalination processes is not expected to thermally decompose them. However, the steam heat will augment the agent`s rate of hydrolysis with subsequent acceleration in their rate of detoxification. Conventional pretreatment of feed seawater for reverse-osmosis desalination is theoretically capable of reducing the concentration of CWAs by coprecipitation and adsorption on flocs formed during coagulation. Prechlorination and prolonged detention in time in pretreatment units will simultaneously promote hydrolysis reactions. 50 refs.

  7. HVAC component data modeling using industry foundation classes

    SciTech Connect (OSTI)

    Bazjanac, Vladimir; Forester, James; Haves, Philip; Sucic, Darko; Xu, Peng

    2002-07-01

    The Industry Foundation Classes (IFC) object data model of buildings is being developed by the International Alliance for Interoperability (IAI). The aim is to support data sharing and exchange in the building and construction industry across the life-cycle of a building. This paper describes a number of aspects of a major extension of the HVAC part of the IFC data model. First is the introduction of a more generic approach for handling HVAC components. This includes type information, which corresponds to catalog data, occurrence information, which defines item-specific attributes such as location and connectivity, and performance history information, which documents the actual performance of the component instance over time. Other IFC model enhancements include an extension of the connectivity model used to specify how components forming a system can be traversed and the introduction of time-based data streams. This paper includes examples of models of particular types of HVAC components, such as boilers and actuators, with all attributes included in the definitions. The paper concludes by describing the on-going process of model testing, implementation and integration into the complete IFC model and how the model can be used by software developers to support interoperability between HVAC-oriented design and analysis tools.

  8. Computational Modeling for the American Chemical Society | GE...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Computational Modeling for the American Chemical Society Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new...

  9. Development and Field Trial of Dimpled-Tube Technology for Chemical Industry Process Heaters

    SciTech Connect (OSTI)

    Yaroslav Chudnovsky; Aleksandr Kozlov

    2006-10-12

    Most approaches to increasing heat transfer rates in the convection sections of gas-fired process heaters involve the incorporation of fins, baffles, turbulizers, etc. to increase either the heat transfer surface area or turbulence or both. Although these approaches are effective in increasing the heat transfer rates, this increase is invariably accompanied by an associated increase in convection section pressure drop as well as, for heaters firing ‘dirty’ fuel mixtures, increased fouling of the tubes – both of which are highly undesirable. GTI has identified an approach that will increase heat transfer rates without a significant increase in pressure drop or fouling rate. Compared to other types of heat transfer enhancement approaches, the proposed dimpled tube approach achieves very high heat transfer rates at the lowest pressure drops. Incorporating this approach into convection sections of chemical industry fired process heaters may increase energy efficiency by 3-5%. The energy efficiency increase will allow reducing firing rates to provide the required heating duty while reducing the emissions of CO2 and NOx.

  10. Project Profile: Predictive Physico-Chemical Modeling of Intrinsic

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Degradation Mechanisms for Advanced Reflector Materials | Department of Energy Predictive Physico-Chemical Modeling of Intrinsic Degradation Mechanisms for Advanced Reflector Materials Project Profile: Predictive Physico-Chemical Modeling of Intrinsic Degradation Mechanisms for Advanced Reflector Materials NREL logo NREL, under the Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Program will be developing a physics-based computational

  11. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the Newberry Volcano EGS Demonstration Site | Department of Energy Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the Newberry Volcano EGS Demonstration Site Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal

  12. Vehicle Technologies Office Merit Review 2016: Chemical Kinetic Models for

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Advanced Engine Combustion | Department of Energy Chemical Kinetic Models for Advanced Engine Combustion Vehicle Technologies Office Merit Review 2016: Chemical Kinetic Models for Advanced Engine Combustion Presentation given by Lawrence Livermore National Laboratory (LLNL) at the 2016 DOE Vehicle Technologies Office and Hydrogen and Fuel Cells Program Annual Merit Review and Peer Evaluation Meeting about Combustion Engines ace013_pitz_2016_o_web.pdf (1.99 MB) More Documents &

  13. Chemical Industry Corrosion Management: A Comprehensive Information System (ASSET 2). Final Report

    SciTech Connect (OSTI)

    John, Randy C.; Young, Arthur L.; Pelton, Arthur D.; Thompson, William T.; Wright, Ian G.

    2008-10-10

    The research sponsored by this project has greatly expanded the ASSET corrosion prediction software system to produce a world-class technology to assess and predict engineering corrosion of metals and alloys corroding by exposure to hot gases. The effort included corrosion data compilation from numerous industrial sources and data generation at Shell Oak Ridge National Laboratory and several other companies for selected conditions. These data were organized into groupings representing various combinations of commercially available alloys and corrosion by various mechanisms after acceptance via a critical screening process to ensure the data were for alloys and conditions, which were adequately well defined, and of sufficient repeatability. ASSET is the largest and most capable, publicly-available technology in the field of corrosion assessment and prediction for alloys corroding by high temperature processes in chemical plants, hydrogen production, energy conversion processes, petroleum refining, power generation, fuels production and pulp/paper processes. The problems addressed by ASSET are: determination of the likely dominant corrosion mechanism based upon information available to the chemical engineers designing and/or operating various processes and prediction of engineering metal losses and lifetimes of commercial alloys used to build structural components. These assessments consider exposure conditions (metal temperatures, gas compositions and pressures), alloy compositions and exposure times. Results of the assessments are determination of the likely dominant corrosion mechanism and prediction of the loss of metal/alloy thickness as a function of time, temperature, gas composition and gas pressure. The uses of these corrosion mechanism assessments and metal loss predictions are that the degradation of processing equipment can be managed for the first time in a way which supports efforts to reduce energy consumption, ensure structural integrity of equipment

  14. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Mehl, M; Sarathy, S M

    2010-11-15

    Predictive engine simulation models are needed to make rapid progress towards DOE's goals of increasing combustion engine efficiency and reducing pollutant emissions. These engine simulation models require chemical kinetic submodels to allow the prediction of the effect of fuel composition on engine performance and emissions. Chemical kinetic models for conventional and next-generation transportation fuels need to be developed so that engine simulation tools can predict fuel effects. The objectives are to: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  15. Chemical Kinetic Models for HCCI and Diesel Combustion

    SciTech Connect (OSTI)

    Pitz, W J; Westbook, C K; Mehl, M

    2008-10-30

    Hydrocarbon fuels for advanced combustion engines consist of complex mixtures of hundreds or even thousands of different components. These components can be grouped into a number of chemically distinct classes, consisting of n-paraffins, branched paraffins, cyclic paraffins, olefins, oxygenates, and aromatics. Biodiesel contains its own unique chemical class called methyl esters. The fractional amounts of these chemical classes are quite different in gasoline, diesel fuel, oil-sand derived fuels and bio-derived fuels, which contributes to the very different combustion characteristics of each of these types of combustion systems. The objectives of this project are: (1) Develop detailed chemical kinetic models for fuel components used in surrogate fuels for diesel and HCCI engines; (2) Develop surrogate fuel models to represent real fuels and model low temperature combustion strategies in HCCI and diesel engines that lead to low emissions and high efficiency; and (3) Characterize the role of fuel composition on low temperature combustion modes of advanced combustion engines.

  16. Waste processing and pollution in the chemical and petrochemical industries. January 1984-October 1991 (Citations from the NTIS Data Base). Rept. for Jan 84-Oct 91

    SciTech Connect (OSTI)

    Not Available

    1991-09-01

    The bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials recovery studies, and standards for specific industries. Sources, site hazard evaluations, and the toxicity of specific chemicals are also discussed. (Contains 151 citations with title list and subject index.)

  17. Waste processing and pollution in the chemical and petrochemical industries. March 1983-March 1990 (A Bibliography from the NTIS data base). Report for March 1983-March 1990

    SciTech Connect (OSTI)

    Not Available

    1990-03-01

    This bibliography contains citations concerning techniques and equipment used for pollution control in the chemical and petrochemical industries. Topics include emissions investigations, recycling and materials-recovery studies, and standards for specific industries. Sources, site-hazard evaluations, and the toxicity of specific chemicals are also discussed. (This updated bibliography contains 68 citations, 13 of which are new entries to the previous edition.)

  18. Biological alternatives to chemical identification for the ecotoxicological assessment of industrial effluents: The RTG-2 in vitro cytotoxicity test

    SciTech Connect (OSTI)

    Castano, A. . Centro de Sanidad Ambiental); Vega, M.; Blazquez, T.; Tarazona, J.V. )

    1994-10-01

    Ecotoxicology is concerned with the effects of chemicals on biological systems. Identifying components of complex aqueous effluents poses special problems, and can be useless if there is a lack of information on the biological effects of the identified chemicals. Toxicity-based (bioassay-directed) sample fractionation can be very useful, but the small amount of fractioned material is a constraint that can be solved by using in vitro tests. The RTG-2 in vitro cytotoxicity test has been used to assess (a) the efficacy of a treatment plant in the aeronautics industry and (b) the exposure of fish and molluscs cultured in Esteiro Bay to the effluent of a fish-processing factory. Ecotoxicological assessments could be done without identifying the responsible chemicals. The RTG-2 test was used in combination with concentration/fractionation procedures. It proved that the toxicity of the liquid wastes from the aeronautics industry was eliminated by the treatment, and that molluscs and fish reared in Esteiro Bay had accumulated toxic chemicals dumped by the fish-processing factory. A combination of the RTG-2 cytotoxicity test and HPLC proved to give useful information even for chemicals not identified by GC-MS.

  19. Steady state model of an industrial FCC unit

    SciTech Connect (OSTI)

    Lopez-Isunza, F.; Ancheyta-Juarez, J.

    1996-12-31

    A reactor model has been developed to simulate the steady-state of an industrial fluid catalytic cracking unit using a three-lump kinetic expression with parameters estimated from experiments in a microactivity test reactor. The model considers a transported bed reactor (riser) where gas-oil and catalyst are in contact to perform the endothermic cracking reactions, interacting with a two-phase moving bed regenerator with recirculation where the combustion of the coke deposited on the catalyst takes place. The model is used to find best operating conditions for maximizing gasoline yield in terms of gas-oil feed temperature (To) and recycled catalyst to gas-oil ratio (C/O). 12 refs., 4 figs.

  20. Modeling Exposure to Persistent Chemicals in Hazard and Risk Assessment

    SciTech Connect (OSTI)

    Cowan-Ellsberry, Christina E.; McLachlan, Michael S.; Arnot, Jon A.; MacLeod, Matthew; McKone, Thomas E.; Wania, Frank

    2008-11-01

    Fate and exposure modeling has not thus far been explicitly used in the risk profile documents prepared to evaluate significant adverse effect of candidate chemicals for either the Stockholm Convention or the Convention on Long-Range Transboundary Air Pollution. However, we believe models have considerable potential to improve the risk profiles. Fate and exposure models are already used routinely in other similar regulatory applications to inform decisions, and they have been instrumental in building our current understanding of the fate of POP and PBT chemicals in the environment. The goal of this paper is to motivate the use of fate and exposure models in preparing risk profiles in the POP assessment procedure by providing strategies for incorporating and using models. The ways that fate and exposure models can be used to improve and inform the development of risk profiles include: (1) Benchmarking the ratio of exposure and emissions of candidate chemicals to the same ratio for known POPs, thereby opening the possibility of combining this ratio with the relative emissions and relative toxicity to arrive at a measure of relative risk. (2) Directly estimating the exposure of the environment, biota and humans to provide information to complement measurements, or where measurements are not available or are limited. (3) To identify the key processes and chemical and/or environmental parameters that determine the exposure; thereby allowing the effective prioritization of research or measurements to improve the risk profile. (4) Predicting future time trends including how quickly exposure levels in remote areas would respond to reductions in emissions. Currently there is no standardized consensus model for use in the risk profile context. Therefore, to choose the appropriate model the risk profile developer must evaluate how appropriate an existing model is for a specific setting and whether the assumptions and input data are relevant in the context of the application

  1. Cross-industry Performance Modeling: Toward Cooperative Analysis

    SciTech Connect (OSTI)

    Reece, Wendy Jane; Blackman, Harold Stabler

    1998-10-01

    One of the current unsolved problems in human factors is the difficulty in acquiring information from lessons learned and data collected among human performance analysts in different domains. There are several common concerns and generally accepted issues of importance for human factors, psychology and industry analysts of performance and safety. Among these are the need to incorporate lessons learned in design, to carefully consider implementation of new designs and automation, and the need to reduce human performance-based contributions to risk. In spite of shared concerns, there are several roadblocks to widespread sharing of data and lessons learned from operating experience and simulation, including the fact that very few publicly accessible data bases exist (Gertman & Blackman, 1994, and Kirwan, 1997). There is a need to draw together analysts and analytic methodologies to comprise a centralized source of data with sufficient detail to be meaningful while ensuring source anonymity. We propose that a generic source of performance data and a multi-domain data store may provide the first steps toward cooperative performance modeling and analysis across industries.

  2. A Good Sign for the Building Energy Modeling Industry | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    SketchUp is a good sign for the BEM industry. Image credit: Sefaira. DOE. Trimble's recent acquisition of Sefaira and its pairing with SketchUp is a good sign for the BEM industry. ...

  3. Wastewater treatment: Chemical industry. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect (OSTI)

    1995-11-01

    The bibliography contains citations concerning wastewater treatment of industrial pollutants. The use and effectiveness of biological treatments and carbon additives are examined. References also discuss problems and recommendations for the removal of mercury and its compounds, fertilizers, and pesticides from polluted waste water. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

  4. Wastewater treatment: Chemical industry. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect (OSTI)

    Not Available

    1993-12-01

    The bibliography contains citations concerning wastewater treatment of industrial pollutants. The use and effectiveness of biological treatments and carbon additives are examined. References also discuss problems and recommendations for the removal of mercury and its compounds, fertilizers, and pesticides from polluted waste water. (Contains 250 citations and includes a subject term index and title list.)

  5. Wastewater treatment: Chemical industry. (Latest citations from Pollution abstracts). Published Search

    SciTech Connect (OSTI)

    Not Available

    1994-12-01

    The bibliography contains citations concerning wastewater treatment of industrial pollutants. The use and effectiveness of biological treatments and carbon additives are examined. References also discuss problems and recommendations for the removal of mercury and its compounds, fertilizers, and pesticides from polluted waste water. (Contains 250 citations and includes a subject term index and title list.)

  6. Computer-Aided Construction of Chemical Kinetic Models

    SciTech Connect (OSTI)

    Green, William H.

    2014-12-31

    The combustion chemistry of even simple fuels can be extremely complex, involving hundreds or thousands of kinetically significant species. The most reasonable way to deal with this complexity is to use a computer not only to numerically solve the kinetic model, but also to construct the kinetic model in the first place. Because these large models contain so many numerical parameters (e.g. rate coefficients, thermochemistry) one never has sufficient data to uniquely determine them all experimentally. Instead one must work in predictive mode, using theoretical rather than experimental values for many of the numbers in the model, and as appropriate refining the most sensitive numbers through experiments. Predictive chemical kinetics is exactly what is needed for computer-aided design of combustion systems based on proposed alternative fuels, particularly for early assessment of the value and viability of proposed new fuels before those fuels are commercially available. This project was aimed at making accurate predictive chemical kinetics practical; this is a challenging goal which requires a range of science advances. The project spanned a wide range from quantum chemical calculations on individual molecules and elementary-step reactions, through the development of improved rate/thermo calculation procedures, the creation of algorithms and software for constructing and solving kinetic simulations, the invention of methods for model-reduction while maintaining error control, and finally comparisons with experiment. Many of the parameters in the models were derived from quantum chemistry calculations, and the models were compared with experimental data measured in our lab or in collaboration with others.

  7. Martin Karplus and Computer Modeling for Chemical Systems

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Martin Karplus and Computer Modeling for Chemical Systems Resources with Additional Information * Karplus Equation Martin Karplus ©Portrait by N. Pitt, 9/10/03 Martin Karplus, the Theodore William Richards Professor of Chemistry Emeritus at Harvard, is one of three winners of the 2013 Nobel Prize in chemistry... The 83-year-old Vienna-born theoretical chemist, who is also affiliated with the Université de Strasbourg, Strasbourg, France, is a 1951 graduate of Harvard College and earned his

  8. Self-consistent chemical model of partially ionized plasmas

    SciTech Connect (OSTI)

    Arkhipov, Yu. V.; Baimbetov, F. B.; Davletov, A. E.

    2011-01-15

    A simple renormalization theory of plasma particle interactions is proposed. It primarily stems from generic properties of equilibrium distribution functions and allows one to obtain the so-called generalized Poisson-Boltzmann equation for an effective interaction potential of two chosen particles in the presence of a third one. The same equation is then strictly derived from the Bogolyubov-Born-Green-Kirkwood-Yvon (BBGKY) hierarchy for equilibrium distribution functions in the pair correlation approximation. This enables one to construct a self-consistent chemical model of partially ionized plasmas, correctly accounting for the close interrelation of charged and neutral components thereof. Minimization of the system free energy provides ionization equilibrium and, thus, permits one to study the plasma composition in a wide range of its parameters. Unlike standard chemical models, the proposed one allows one to study the system correlation functions and thereby to obtain an equation of state which agrees well with exact results of quantum-mechanical activity expansions. It is shown that the plasma and neutral components are strongly interrelated, which results in the short-range order formation in the corresponding subsystem. The mathematical form of the results obtained enables one to both firmly establish this fact and to determine a characteristic length of the structure formation. Since the cornerstone of the proposed self-consistent chemical model of partially ionized plasmas is an effective pairwise interaction potential, it immediately provides quite an efficient calculation scheme not only for thermodynamical functions but for transport coefficients as well.

  9. Probabilistic consequence model of accidenal or intentional chemical releases.

    SciTech Connect (OSTI)

    Chang, Y.-S.; Samsa, M. E.; Folga, S. M.; Hartmann, H. M.

    2008-06-02

    In this work, general methodologies for evaluating the impacts of large-scale toxic chemical releases are proposed. The potential numbers of injuries and fatalities, the numbers of hospital beds, and the geographical areas rendered unusable during and some time after the occurrence and passage of a toxic plume are estimated on a probabilistic basis. To arrive at these estimates, historical accidental release data, maximum stored volumes, and meteorological data were used as inputs into the SLAB accidental chemical release model. Toxic gas footprints from the model were overlaid onto detailed population and hospital distribution data for a given region to estimate potential impacts. Output results are in the form of a generic statistical distribution of injuries and fatalities associated with specific toxic chemicals and regions of the United States. In addition, indoor hazards were estimated, so the model can provide contingency plans for either shelter-in-place or evacuation when an accident occurs. The stochastic distributions of injuries and fatalities are being used in a U.S. Department of Homeland Security-sponsored decision support system as source terms for a Monte Carlo simulation that evaluates potential measures for mitigating terrorist threats. This information can also be used to support the formulation of evacuation plans and to estimate damage and cleanup costs.

  10. Carbon Dioxide Separation Technology: R&D Needs for the Chemical and Petrochemical Industries

    SciTech Connect (OSTI)

    none,

    2007-11-01

    This report, the second in a series, is designed to summarize and present recommendations for improved CO2 separation technology for industrial processes. This report provides an overview of 1) the principal CO2 producing processes, 2) the current commercial separation technologies and 3) emerging adsorption and membrane technologies for CO2 separation, and makes recommendations for future research.

  11. Model Documentation Report: Industrial Demand Module of the National...

    Gasoline and Diesel Fuel Update (EIA)

    are multiplicative for all fuels that have consumption values greater than zero and are additive otherwise. The equation for total industrial electricity consumption is below....

  12. Modeling thermal/chemical/mechanical response of energetic materials

    SciTech Connect (OSTI)

    Baer, M.R.; Hobbs, M.L.; Gross, R.J.

    1995-07-01

    An overview of modeling at Sandia National Laboratories is presented which describes coupled thermal, chemical and mechanical response of energetic materials. This modeling addresses cookoff scenarios for safety assessment studies in systems containing energetic materials. Foundation work is discussed which establishes a method for incorporating chemistry and mechanics into multidimensional analysis. Finite element analysis offers the capabilities to simultaneously resolve reactive heat transfer and structural mechanics in complex geometries. Nonlinear conduction heat transfer, with multiple step finite-rate chemistry, is resolved using a thermal finite element code. Rate equations are solved element-by-element using a modified matrix-free stiff solver This finite element software was developed for the simulation of systems requiring large numbers of finite elements. An iterative implicit scheme, based on the conjugate gradient method, is used and a hemi-cube algorithm is employed for the determination of view factors in surface-to-surface radiation transfer The critical link between the reactive heat transfer and mechanics is the introduction of an appropriate constitutive material model providing a stress-strain relationship for quasi-static mechanics analysis. This model is formally derived from bubble nucleation theory, and parameter variations of critical model parameters indicate that a small degree of decomposition leads to significant mechanical response. Coupled thermal/chemical/mechanical analysis is presented which simulates experiments designed to probe cookoff thermal-mechanical response of energetic materials.

  13. Industrial cogeneration case study No. 2: American Cyanamid Chemical Company, Bound Brook, New Jersey

    SciTech Connect (OSTI)

    Not Available

    1980-01-01

    Within a project for evaluating the economics of cogeneration for industrial plants with an electrical capacity of 10,000 to 30,000 kW, the American Cyanamid plant at Bound Brook, NJ was selected for study. Built between 1915 and 1920 this power plant was converted in the 1960's from coal-fueling to oil and natural gas. Information is presented on the plant site, fuel usage, generation costs, comparative cost of purchasable electric power, equipment used, performance, and reliability and capital and maintenance costs. (LCL)

  14. Chemical kinetic modeling of H{sub 2} applications

    SciTech Connect (OSTI)

    Marinov, N.M.; Westbrook, C.K.; Cloutman, L.D.

    1995-09-01

    Work being carried out at LLNL has concentrated on studies of the role of chemical kinetics in a variety of problems related to hydrogen combustion in practical combustion systems, with an emphasis on vehicle propulsion. Use of hydrogen offers significant advantages over fossil fuels, and computer modeling provides advantages when used in concert with experimental studies. Many numerical {open_quotes}experiments{close_quotes} can be carried out quickly and efficiently, reducing the cost and time of system development, and many new and speculative concepts can be screened to identify those with sufficient promise to pursue experimentally. This project uses chemical kinetic and fluid dynamic computational modeling to examine the combustion characteristics of systems burning hydrogen, either as the only fuel or mixed with natural gas. Oxidation kinetics are combined with pollutant formation kinetics, including formation of oxides of nitrogen but also including air toxics in natural gas combustion. We have refined many of the elementary kinetic reaction steps in the detailed reaction mechanism for hydrogen oxidation. To extend the model to pressures characteristic of internal combustion engines, it was necessary to apply theoretical pressure falloff formalisms for several key steps in the reaction mechanism. We have continued development of simplified reaction mechanisms for hydrogen oxidation, we have implemented those mechanisms into multidimensional computational fluid dynamics models, and we have used models of chemistry and fluid dynamics to address selected application problems. At the present time, we are using computed high pressure flame, and auto-ignition data to further refine the simplified kinetics models that are then to be used in multidimensional fluid mechanics models. Detailed kinetics studies have investigated hydrogen flames and ignition of hydrogen behind shock waves, intended to refine the detailed reactions mechanisms.

  15. Bio-butanol: Combustion properties and detailed chemical kinetic model

    SciTech Connect (OSTI)

    Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V.

    2010-02-15

    Autoignition delay time measurements were performed at equivalence ratios of 0.5, 1 and 2 for butan-1-ol at reflected shock pressures of 1, 2.6 and 8 atm at temperatures from 1100 to 1800 K. High-level ab initio calculations were used to determine enthalpies of formation and consequently bond dissociation energies for each bond in the alcohol. A detailed chemical kinetic model consisting of 1399 reactions involving 234 species was constructed and tested against the delay times and also against recent jet-stirred reactor speciation data with encouraging results. The importance of enol chemistry is highlighted. (author)

  16. The Northwest Infrared (NWIR) gas-phase spectral database of industrial and environmental chemicals: Recent updates

    SciTech Connect (OSTI)

    Brauer, Carolyn S.; Johnson, Timothy J.; Blake, Thomas A.; Sharpe, Steven W.; Sams, Robert L.; Tonkyn, Russell G.

    2014-05-22

    With continuing improvements in both standoff- and point-sensing techniques, there is an ongoing need for high-quality infrared spectral databases. The Northwest Infrared Database (NWIR) contains quantitative, gas-phase infrared spectra of nearly 500 pure chemical species that can be used for a variety of applications such as atmospheric monitoring, biomass burning studies, etc. The data, recorded at 0.1 cm-1 resolution, are pressure broadened to one atmosphere (N2) in order to mimic atmospheric conditions. Each spectrum is a composite composed of multiple individual measurements. Recent updates to the database include over 60 molecules that are known or suspected biomass-burning effluents. Examples from this set of measurements will be presented and experimental details will be discussed in the context of the utility of NWIR for environmental applications.

  17. High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M

    2011-03-01

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed high temperature chemical kinetic mechanism for n-octane and three lightly branched isomers octane (i.e., 2-methylheptane, 3-methylheptane, and 2,5-dimethylhexane). The model is validated against experimental data from a variety of fundamental combustion devices. This new model is used to show how the location and number of methyl branches affects fuel reactivity including laminar flame speed and species formation.

  18. New process modeling [sic], design, and control strategies for energy efficiency, high product quality, and improved productivity in the process industries. Final project report

    SciTech Connect (OSTI)

    Ray, W. Harmon

    2002-06-05

    This project was concerned with the development of process design and control strategies for improving energy efficiency, product quality, and productivity in the process industries. In particular, (i) the resilient design and control of chemical reactors, and (ii) the operation of complex processing systems, was investigated. Specific topics studied included new process modeling procedures, nonlinear controller designs, and control strategies for multiunit integrated processes. Both fundamental and immediately applicable results were obtained. The new design and operation results from this project were incorporated into computer-aided design software and disseminated to industry. The principles and design procedures have found their way into industrial practice.

  19. Rock Mechanics Models and Measurements Challenges from Industry. Proceedings

    SciTech Connect (OSTI)

    Laubach, S.E.; Nelson, P.P.

    1994-01-01

    Increased mutual dependence of the economies of Canada, the United States and Mexico has now been recognized formally by agreements between the respective national governments. Noting the basic economic role of rock mechanics in the resource recovery and construction industries, it is appropriate that the First North American Rock Mechanics Symposium should confirm mutual interest in rock mechanics research and engineering practice in the neighboring countries. Different government and industrial emphases in the NAFTA countries lead to complementary strengths in their research and engineering programs. The First NARM Symposium is the first opportunity to explore thoroughly, within the scope of a single meeting, rock mechanics research in progress and engineering achievements in the three countries. Individual papers abstracted separately.

  20. Frequency Modulation Spectroscopy Modeling for Remote Chemical Detection

    SciTech Connect (OSTI)

    Sheen, David M.

    2000-09-30

    Frequency modulation (FM) spectroscopy techniques show promise for active infrared remote chemical sensing. FM spectroscopy techniques have reduced sensitivity to optical and electronic noise, and are relatively immune to the effects of various electronic and mechanical drifts. FM systems are responsive to sharp spectral features and can therefore reduce the effects of spectral clutter due to interfering chemicals in the plume or in the atmosphere. The relatively high modulation frequencies used for FM also reduces the effects of albedo (reflectance) and plume variations. Conventional differential absorption lidar (DIAL) systems are performance limited by the noise induced by speckle. Analysis presented in this report shows that FM based sensors may reduce the effects of speckle by one to two orders of magnitude. This can result in reduced dwell times and faster area searches, as well as reducing various forms of spatial clutter. FM systems will require a laser system that is continuously tunable at relatively high frequencies (0.1 to 20 MHz). One promising candidate is the quantum-cascade (QC) laser [1, 2]. The QC laser is potentially capable of power levels on the order of 1 Watt and frequency tuning on the order of 3 - 6 GHz, which is the performance level required for FM spectroscopy based remote sensing. In this report we describe a high-level numerical model for an FM spectroscopy based remote sensing system, and application to two unmanned airborne vehicle (UAV) scenarios. A Predator scenario operating at a slant range of 6.5 km with a 10 cm diameter telescope, and a Global Hawk scenario operating at a range of 30 km with a 20 cm diameter telescope, has been assumed to allow estimation of the performance of potential FM systems.

  1. ACTINIDE REMOVAL PROCESS SAMPLE ANALYSIS, CHEMICAL MODELING, AND FILTRATION EVALUATION

    SciTech Connect (OSTI)

    Martino, C.; Herman, D.; Pike, J.; Peters, T.

    2014-06-05

    Filtration within the Actinide Removal Process (ARP) currently limits the throughput in interim salt processing at the Savannah River Site. In this process, batches of salt solution with Monosodium Titanate (MST) sorbent are concentrated by crossflow filtration. The filtrate is subsequently processed to remove cesium in the Modular Caustic Side Solvent Extraction Unit (MCU) followed by disposal in saltstone grout. The concentrated MST slurry is washed and sent to the Defense Waste Processing Facility (DWPF) for vitrification. During recent ARP processing, there has been a degradation of filter performance manifested as the inability to maintain high filtrate flux throughout a multi-batch cycle. The objectives of this effort were to characterize the feed streams, to determine if solids (in addition to MST) are precipitating and causing the degraded performance of the filters, and to assess the particle size and rheological data to address potential filtration impacts. Equilibrium modelling with OLI Analyzer{sup TM} and OLI ESP{sup TM} was performed to determine chemical components at risk of precipitation and to simulate the ARP process. The performance of ARP filtration was evaluated to review potential causes of the observed filter behavior. Task activities for this study included extensive physical and chemical analysis of samples from the Late Wash Pump Tank (LWPT) and the Late Wash Hold Tank (LWHT) within ARP as well as samples of the tank farm feed from Tank 49H. The samples from the LWPT and LWHT were obtained from several stages of processing of Salt Batch 6D, Cycle 6, Batch 16.

  2. Model Documentation Report: Industrial Demand Module of the National...

    Gasoline and Diesel Fuel Update (EIA)

    are multiplicative for all fuels that have consumption values greater than zero and are additive otherwise. September 2013 U.S. Energy Information Administration | Model...

  3. Carbon Emissions: Chemicals Industry

    U.S. Energy Information Administration (EIA) Indexed Site

    Stephanie Battles Stephanie.Battles@eia.doe.gov (Phone: (202) 586-7237) FAX: 202-586-0018 URL: http:www.eia.govemeuefficiencycarbonemissionschemicals.html Contact Us File...

  4. Computerized operating cost model for industrial steam generation

    SciTech Connect (OSTI)

    Powers, T.D.

    1983-02-01

    Pending EPA regulations, establishing revised emission levels for industrial boilers are perceived to have an effect on the relative costs of steam production technologies. To aid in the comparison of competitive boiler technologies, the Steam Cost Code was developed which provides levelized steam costs reflecting the effects of a number of key steam cost parameters. The Steam Cost Code is a user interactive FORTRAN program designed to operate on a VAX computer system. The program requires the user to input a number of variables describing the design characteristics, capital costs, and operating conditions for a specific boiler system. Part of the input to the Steam Cost Code is the capital cost of the steam production system. The capital cost is obtained from a program called INDCEPT, developed by Oak Ridge National Laboratory under Department of Energy, Morgantown Energy Technology Center sponsorship.

  5. Catalytic Hydroprocessing of Chemical Models for Bio-oil

    SciTech Connect (OSTI)

    Elliott, Douglas C.; Hart, Todd R.

    2008-12-12

    Bio-oil (product liquids from fast pyrolysis of biomass) is a complex mixture of oxygenates derived from the thermal breakdown of the bio-polymers in biomass. In the case of lignocellulosic biomass, the structures of three major components, cellulose, hemicellulose and lignin, are well represented by the bio-oil components. In order to study the chemical mechanisms of catalytic hydroprocessing of bio-oil, three model compounds were chosen to represent those components. Guaiacol represents the large number of mono- and di-methoxy phenols found in bio-oil derived from softwood or hardwood, respectively. Furfural represents a major pyrolysis product group from cellulosics. Acetic acid is a major product from biomass pyrolysis, derived from the hemicellulose, which has important impacts on the further processing of the bio-oil because of the acidic character. These three compounds were processed using palladium or ruthenium catalyst over a temperature range from 150°C to 300°C. The batch reactor was sampled during each test over a period of four hours. The samples were analyzed by gas chromatography with both a mass selective detector and a flame ionization detector. The products were determined and the reaction pathways for their formation are suggested based on these results. Both temperature and catalyst metal have significant effects on the product composition.

  6. New Model Demonstrates Offshore Wind Industry's Job Growth Potential...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    and number of jobs associated with fixed-bottom offshore wind development, applies to ... The fixed-bottom offshore wind JEDI is one of several user-friendly NREL models that ...

  7. Industries & Technologies | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Aluminum Chemicals Forest Products Glass Metal Casting Mining Other Industries Petroleum ... Information & Communications Technology Data Centers Materials for Industrial Use ...

  8. Development of Advanced Thermal-Hydrological-Mechanical-Chemical (THMC) Modeling Capabilities for Enhanced Geothermal Systems

    Broader source: Energy.gov [DOE]

    Development of Advanced Thermal-Hydrological-Mechanical-Chemical (THMC) Modeling Capabilities for Enhanced Geothermal Systems presentation at the April 2013 peer review meeting held in Denver, Colorado.

  9. CFD modeling of entrained-flow coal gasifiers with improved physical and chemical sub-models

    SciTech Connect (OSTI)

    Ma, J.; Zitney, S.

    2012-01-01

    Optimization of an advanced coal-fired integrated gasification combined cycle system requires an accurate numerical prediction of gasifier performance. While the turbulent multiphase reacting flow inside entrained-flow gasifiers has been modeled through computational fluid dynamic (CFD), the accuracy of sub-models requires further improvement. Built upon a previously developed CFD model for entrained-flow gasification, the advanced physical and chemical sub-models presented here include a moisture vaporization model with consideration of high mass transfer rate, a coal devolatilization model with more species to represent coal volatiles and heating rate effect on volatile yield, and careful selection of global gas phase reaction kinetics. The enhanced CFD model is applied to simulate two typical oxygen-blown entrained-flow configurations including a single-stage down-fired gasifier and a two-stage up-fired gasifier. The CFD results are reasonable in terms of predicted carbon conversion, syngas exit temperature, and syngas exit composition. The predicted profiles of velocity, temperature, and species mole fractions inside the entrained-flow gasifier models show trends similar to those observed in a diffusion-type flame. The predicted distributions of mole fractions of major species inside both gasifiers can be explained by the heterogeneous combustion and gasification reactions and the homogeneous gas phase reactions. It was also found that the syngas compositions at the CFD model exits are not in chemical equilibrium, indicating the kinetics for both heterogeneous and gas phase homogeneous reactions are important. Overall, the results achieved here indicate that the gasifier models reported in this paper are reliable and accurate enough to be incorporated into process/CFD co-simulations of IGCC power plants for systemwide design and optimization.

  10. Opportunities to assist developing countries in the proper use of agricultural and industrial chemicals. Report of the Committee on Health and Environment. Volume 1. Research paper(Final)

    SciTech Connect (OSTI)

    Not Available

    1988-02-18

    This report was prepared to examine opportunities for promoting the proper use of agricultural and industrial chemicals, and of alternatives such as integrated pest management. Volume one provides an overview of the economic, health, and environmental costs developing countries incur from improper pesticide and chemical use and presents detailed action recommendations for the Agency for International Development (AID). Volume two provides source information: included are sections on AID's and other donors' environmental policies, the activities of other US government agencies operating abroad, and lessons learned from integrated pest management programs, along with a 35-page bibliography.

  11. Final Technical Report - High-Performance, Oxide-Dispersion-Strengthened Tubes for Production of Ethylene adn Other Industrial Chemicals

    SciTech Connect (OSTI)

    McKimpson, Marvin G.

    2006-04-06

    This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion

  12. The application of neural networks with artificial intelligence technique in the modeling of industrial processes

    SciTech Connect (OSTI)

    Saini, K. K.; Saini, Sanju

    2008-10-07

    Neural networks are a relatively new artificial intelligence technique that emulates the behavior of biological neural systems in digital software or hardware. These networks can 'learn', automatically, complex relationships among data. This feature makes the technique very useful in modeling processes for which mathematical modeling is difficult or impossible. The work described here outlines some examples of the application of neural networks with artificial intelligence technique in the modeling of industrial processes.

  13. Testing of a model to estimate vapor concentration of various organic chemicals. Master's thesis

    SciTech Connect (OSTI)

    Bakalyar, S.M.

    1990-01-01

    A model developed by Dr. Parker C. Reist to predict the build-up and decay rates of vapor concentrations following a chemical spill and clean-up was tested. The chemicals tested were: acetone, butyl acetate, ethyl acetate, hexane, methylene chloride, methyl ethyl ketone, and toluene. The evaporation rates of these chemicals were determined both by prediction, using a model developed by I. Kawamura and D. Mackay, and empirically and these rates were used in the Reist model. Chamber experiments were done to measure actual building-up and decay of vapor concentrations for simulated spills and simulated clean-up.

  14. Recent Advances in Detailed Chemical Kinetic Models for Large Hydrocarbon and Biodiesel Transportation Fuels

    SciTech Connect (OSTI)

    Westbrook, C K; Pitz, W J; Curran, H J; Herbinet, O; Mehl, M

    2009-03-30

    n-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for these two primary reference fuels for diesel, a new capability is now available to model diesel fuel ignition. Also, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. Methyl decanoate and methyl stearate are large methyl esters that are closely related to biodiesel fuels, and kinetic models for these molecules have also been developed. These chemical kinetic models are used to predict the effect of the fuel molecule size and structure on ignition characteristics under conditions found in internal combustion engines.

  15. Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling

    SciTech Connect (OSTI)

    Valerio, Luis G. . E-mail: luis.valerio@FDA.HHS.gov; Arvidson, Kirk B.; Chanderbhan, Ronald F.; Contrera, Joseph F.

    2007-07-01

    , comprised primarily of pharmaceutical, industrial and some natural products developed under an FDA-MDL cooperative research and development agreement (CRADA). The predictive performance for this group of dietary natural products and the control group was 97% sensitivity and 80% concordance. Specificity was marginal at 53%. This study finds that the in silico QSAR analysis employing this software's rodent carcinogenicity database is capable of identifying the rodent carcinogenic potential of naturally occurring organic molecules found in the human diet with a high degree of sensitivity. It is the first study to demonstrate successful QSAR predictive modeling of naturally occurring carcinogens found in the human diet using an external validation test. Further test validation of this software and expansion of the training data set for dietary chemicals will help to support the future use of such QSAR methods for screening and prioritizing the risk of dietary chemicals when actual animal data are inadequate, equivocal, or absent.

  16. Coupled Thermal-Hydrological-Mechanical-Chemical Model And Experiments...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... purpose of this slide is to provide some context for evaluating your project. * Please ... Project and a DOE FOA project on model development for nontraditional isotopes - ...

  17. Development of a Systems Engineering Model of the Chemical Separations...

    Office of Scientific and Technical Information (OSTI)

    to develop a general-purpose systems engineering model for the AAA separation process. ... EQUIPMENT INTERFACES; INFORMATION; SEPARATION PROCESSES; SPECIFICATIONS Word Cloud ...

  18. Chapter 18: Understanding the Developing Cellulosic Biofuels Industry through Dynamic Modeling

    SciTech Connect (OSTI)

    Newes, E.; Inman, D.; Bush, B.

    2011-01-01

    The purpose of this chapter is to discuss a system dynamics model called the Biomass Scenario Model (BSM), which is being developed by the U.S. Department of Energy as a tool to better understand the interaction of complex policies and their potential effects on the burgeoning cellulosic biofuels industry in the United States. The model has also recently been expanded to include advanced conversion technologies and biofuels (i.e., conversion pathways that yield biomass-based gasoline, diesel, jet fuel, and butanol), but we focus on cellulosic ethanol conversion pathways here. The BSM uses a system dynamics modeling approach (Bush et al., 2008) built on the STELLA software platform.

  19. Comparative modelling of chemical ordering in palladium-iridium nanoalloys

    SciTech Connect (OSTI)

    Davis, Jack B. A.; Johnston, Roy L.; Rubinovich, Leonid; Polak, Micha

    2014-12-14

    Chemical ordering in magic-number palladium-iridium nanoalloys has been studied by means of density functional theory (DFT) computations, and compared to those obtained by the Free Energy Concentration Expansion Method (FCEM) using derived coordination dependent bond energy variations (CBEV), and by the Birmingham Cluster Genetic Algorithm using the Gupta potential. Several compositions have been studied for 38- and 79-atom particles as well as the site preference for a single Ir dopant atom in the 201-atom truncated octahedron (TO). The 79- and 38-atom nanoalloy homotops predicted for the TO by the FCEM/CBEV are shown to be, respectively, the global minima and competitive low energy minima. Significant reordering of minima predicted by the Gupta potential is seen after reoptimisation at the DFT level.

  20. Predicting carcinogenicity of diverse chemicals using probabilistic neural network modeling approaches

    SciTech Connect (OSTI)

    Singh, Kunwar P.; Gupta, Shikha; Rai, Premanjali

    2013-10-15

    Robust global models capable of discriminating positive and non-positive carcinogens; and predicting carcinogenic potency of chemicals in rodents were developed. The dataset of 834 structurally diverse chemicals extracted from Carcinogenic Potency Database (CPDB) was used which contained 466 positive and 368 non-positive carcinogens. Twelve non-quantum mechanical molecular descriptors were derived. Structural diversity of the chemicals and nonlinearity in the data were evaluated using Tanimoto similarity index and BrockDechertScheinkman statistics. Probabilistic neural network (PNN) and generalized regression neural network (GRNN) models were constructed for classification and function optimization problems using the carcinogenicity end point in rat. Validation of the models was performed using the internal and external procedures employing a wide series of statistical checks. PNN constructed using five descriptors rendered classification accuracy of 92.09% in complete rat data. The PNN model rendered classification accuracies of 91.77%, 80.70% and 92.08% in mouse, hamster and pesticide data, respectively. The GRNN constructed with nine descriptors yielded correlation coefficient of 0.896 between the measured and predicted carcinogenic potency with mean squared error (MSE) of 0.44 in complete rat data. The rat carcinogenicity model (GRNN) applied to the mouse and hamster data yielded correlation coefficient and MSE of 0.758, 0.71 and 0.760, 0.46, respectively. The results suggest for wide applicability of the inter-species models in predicting carcinogenic potency of chemicals. Both the PNN and GRNN (inter-species) models constructed here can be useful tools in predicting the carcinogenicity of new chemicals for regulatory purposes. - Graphical abstract: Figure (a) shows classification accuracies (positive and non-positive carcinogens) in rat, mouse, hamster, and pesticide data yielded by optimal PNN model. Figure (b) shows generalization and predictive abilities

  1. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Dooley, S; Westbrook, C K

    2008-05-29

    Detailed kinetic models of pyrolysis and combustion of hydrocarbon fuels are nowadays widely used in the design of internal combustion engines and these models are effectively applied to help meet the increasingly stringent environmental and energetic standards. In previous studies by the combustion community, such models not only contributed to the understanding of pure component combustion, but also provided a deeper insight into the combustion behavior of complex mixtures. One of the major challenges in this field is now the definition and the development of appropriate surrogate models able to mimic the actual features of real fuels. Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. Their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. Aside the most commonly used surrogates containing iso-octane and n-heptane only, the so called Primary Reference Fuels (PRF), new mixtures have recently been suggested to extend the reference components in surrogate mixtures to also include alkenes and aromatics. It is generally agreed that, including representative species for all the main classes of hydrocarbons which can be found in real fuels, it is possible to reproduce very effectively in a wide range of operating conditions not just the auto-ignition propensity of gasoline or Diesel fuels, but also their physical properties and their combustion residuals [1]. In this work, the combustion behavior of several components relevant to gasoline surrogate formulation is computationally examined. The attention is focused on the autoignition of iso-octane, hexene and their mixtures. Some important issues relevant to the experimental and modeling investigation of such fuels are discussed with the help of rapid compression machine data and calculations. Following the model validation, the behavior of mixtures is discussed on the

  2. Evaluating indoor exposure modeling alternatives for LCA: A case study in the vehicle repair industry

    SciTech Connect (OSTI)

    Demou, Evangelia; Hellweg, Stefanie; Wilson, Michael P.; Hammond, S. Katharine; McKone, Thomas E.

    2009-05-01

    We evaluated three exposure models with data obtained from measurements among workers who use"aerosol" solvent products in the vehicle repair industry and with field experiments using these products to simulate the same exposure conditions. The three exposure models were the: 1) homogeneously-mixed-one-box model, 2) multi-zone model, and 3) eddy-diffusion model. Temporally differentiated real-time breathing zone volatile organic compound (VOC) concentration measurements, integrated far-field area samples, and simulated experiments were used in estimating parameters, such as emission rates, diffusivity, and near-field dimensions. We assessed differences in model input requirements and their efficacy for predictive modeling. The One-box model was not able to resemble the temporal profile of exposure concentrations, but it performed well concerning time-weighted exposure over extended time periods. However, this model required an adjustment for spatial concentration gradients. Multi-zone models and diffusion-models may solve this problem. However, we found that the reliable use of both these models requires extensive field data to appropriately define pivotal parameters such as diffusivity or near-field dimensions. We conclude that it is difficult to apply these models for predicting VOC exposures in the workplace. However, for comparative exposure scenarios in life-cycle assessment they may be useful.

  3. Chemical kinetic modeling of component mixtures relevant to gasoline

    SciTech Connect (OSTI)

    Mehl, M; Curran, H J; Pitz, W J; Westbrook, C K

    2009-02-13

    Real fuels are complex mixtures of thousands of hydrocarbon compounds including linear and branched paraffins, naphthenes, olefins and aromatics. It is generally agreed that their behavior can be effectively reproduced by simpler fuel surrogates containing a limited number of components. In this work, a recently revised version of the kinetic model by the authors is used to analyze the combustion behavior of several components relevant to gasoline surrogate formulation. Particular attention is devoted to linear and branched saturated hydrocarbons (PRF mixtures), olefins (1-hexene) and aromatics (toluene). Model predictions for pure components, binary mixtures and multi-component gasoline surrogates are compared with recent experimental information collected in rapid compression machine, shock tube and jet stirred reactors covering a wide range of conditions pertinent to internal combustion engines. Simulation results are discussed focusing attention on the mixing effects of the fuel components.

  4. Experiments and Modeling of High Altitude Chemical Agent Release

    SciTech Connect (OSTI)

    Nakafuji, G.; Greenman, R.; Theofanous, T.

    2002-07-08

    Using ASCA data, we find, contrary to other researchers using ROSAT data, that the X-ray spectra of the VY Scl stars TT Ari and KR Aur are poorly fit by an absorbed blackbody model but are well fit by an absorbed thermal plasma model. The different conclusions about the nature of the X-ray spectrum of KR Aur may be due to differences in the accretion rate, since this Star was in a high optical state during the ROSAT observation, but in an intermediate optical state during the ASCA observation. TT Ari, on the other hand, was in a high optical state during both observations, so directly contradicts the hypothesis that the X-ray spectra of VY Sol stars in their high optical states are blackbodies. Instead, based on theoretical expectations and the ASCA, Chandra, and XMM spectra of other nonmagnetic cataclysmic variables, we believe that the X-ray spectra of VY Sol stars in their low and high optical states are due to hot thermal plasma in the boundary layer between the accretion disk and the surface of the white dwarf, and appeal to the acquisition of Chandra and XMM grating spectra to test this prediction.

  5. Modeling Dispersion of Chemical-Biological Agents in Three Dimensional Living Space

    SciTech Connect (OSTI)

    William S. Winters

    2002-02-01

    This report documents a series of calculations designed to demonstrate Sandia's capability in modeling the dispersal of chemical and biological agents in complex three-dimensional spaces. The transport of particles representing biological agents is modeled in a single room and in several connected rooms. The influence of particle size, particle weight and injection method are studied.

  6. ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary Report, December 2006 | Department of Energy Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary Report, December 2006 ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical

  7. Chemical Sciences

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical Science Chemical Science Plant fatty acids are used in a vast range of products, from polymers to plastics and soaps to industrial feed stocks -- making up an estimated $150 billion market annually. A new discovery of inserting double bonds in the fatty acids could show the way to the designer production of plant fatty acids, and, in turn, to new industrial applications and new products. <a href

  8. Impact of the revised OSHA exposure standard on evaluation and control of benzene and other volatile organic chemicals in the liquid petroleum pipeline industry

    SciTech Connect (OSTI)

    Mercer, D.O.

    1989-01-01

    The primary purpose of this study was to determine the benzene exposure potential of workers in the liquid petroleum pipeline industry and to assess the impact of compliance with the revised standard on this industry. In addition, exposure to ethylene dibromide (EDB), and ethylene dichloride (EDC), which have toxicological profiles similar to that of benzene and are routinely found in this industry, were evaluated and appropriate control protocols were recommended. Exposure potential to benzene in excess of the 0.5 ppm (8-hour TWA) OSHA action level was shown to be limited to three free product handling operations, and that this increased exposure potential was dependent on the length of time necessary to perform the operations. The incidence and magnitude of benzene overexposure was not severe and control could be accomplished with engineering methods, along with work practice controls and personal protective equipment. Through application of a risk assessment model it was shown that 14 excess leukemia deaths per one thousand workers could be expected in the employee population that routinely performs those operation having maximum benzene exposure potential. This compares to less than on excess leukemia death per one thousand workers in the total work population. The evaluation of EDB and EDC indicated that exposure potential to EDB was of greatest concern. Even though exposure could be limited through application of standard industrial hygiene methods, any control protocol short of total elimination of EDB from the product stream may be not sufficient to reduce exposure to accepted levels.

  9. HCCI experiments with gasoline surrogate fuels modeled by a semidetailed chemical kinetic model

    SciTech Connect (OSTI)

    Andrae, J.C.G.; Head, R.A.

    2009-04-15

    Experiments in a homogeneous charge compression ignition (HCCI) engine have been conducted with four gasoline surrogate fuel blends. The pure components in the surrogate fuels consisted of n-heptane, isooctane, toluene, ethanol and diisobutylene and fuel sensitivities (RON-MON) in the fuel blends ranged from two to nine. The operating conditions for the engine were p{sub in}=0.1 and 0.2 MPa, T{sub in}=80 and 250 C, {phi}=0.25 in air and engine speed 1200 rpm. A semidetailed chemical kinetic model (142 species and 672 reactions) for gasoline surrogate fuels, validated against ignition data from experiments conducted in shock tubes for gasoline surrogate fuel blends at 1.0{<=} p{<=}5.0MPa, 700{<=} T{<=}1200 K and {phi}=1.0, was successfully used to qualitatively predict the HCCI experiments using a single zone modeling approach. The fuel blends that had higher fuel sensitivity were more resistant to autoignition for low intake temperature and high intake pressure and less resistant to autoignition for high intake temperature and low intake pressure. A sensitivity analysis shows that at high intake temperature the chemistry of the fuels ethanol, toluene and diisobutylene helps to advance ignition. This is consistent with the trend that fuels with the least Negative Temperature Coefficient (NTC) behavior show the highest octane sensitivity, and become less resistant to autoignition at high intake temperatures. For high intake pressure the sensitivity analysis shows that fuels in the fuel blend with no NTC behavior consume OH radicals and acts as a radical scavenger for the fuels with NTC behavior. This is consistent with the observed trend of an increase in RON and fuel sensitivity. With data from shock tube experiments in the literature and HCCI modeling in this work, a correlation between the reciprocal pressure exponent on the ignition delay to the fuel sensitivity and volume percentage of single-stage ignition fuel in the fuel blend was found. Higher fuel

  10. A chemical kinetic model of hydrocarbon generation from the Bakken Formation, Williston Basin, North Dakota

    SciTech Connect (OSTI)

    Sweeney, J.J.; Braun, R.L.; Burnham, A.K. ); Gosnold, W.D. )

    1992-10-01

    This report describes a model of hydrocarbon generation and expulsion in the North Dakota portion of the Williston Basin. The modeling incorporates kinetic methods to simulate chemical reactions and 1-dimensional conductive heat flow models to simulate thermal histories of the Mississippian-Devonian Bakken Formation source rock. We developed thermal histories of the source rock for 53 wells in the basin using stratigraphic and heat flow data obtained by the University of North Dakota. Chemical kinetics for hydrocarbon generation, determined from Pyromat pyrolysis, were, then used with the diennal histories to calculate the present day value of the Rock-Eval T[sub max] for each well. The calculated Rock-Eval T[sub max] values agreed with measured values within amounts attributable to uncertainties in the chemical kinetics and the heat flow. These optimized thermal histories were then used with a more detailed chemical kinetic model of hydrocarbon generation and expulsion, modified from a model developed for the Cretaceous La Luna shale, to simulate pore pressure development and detailed aspects of the hydrocarbon chemistry. When compared to values estimated from sonic logs, the pore pressure calculation underestimates the role of hydrocarbon generation and overestimates the role of compaction disequilibrium, but it matches well the general areal extent of pore pressures of 0.7 times lithostatic and higher. The simulated chemistry agrees very well with measured values of HI, PI, H/C atomic ratio of the kerogen, and Rock-Eval S1. The model is not as successful in simulating the amount of extracted bitumen and its saturate content, suggesting that detailed hydrous pyrolysis experiments will probably be needed to further refine the chemical model.

  11. A chemical kinetic model of hydrocarbon generation from the Bakken Formation, Williston Basin, North Dakota

    SciTech Connect (OSTI)

    Sweeney, J.J.; Braun, R.L.; Burnham, A.K.; Gosnold, W.D.

    1992-10-01

    This report describes a model of hydrocarbon generation and expulsion in the North Dakota portion of the Williston Basin. The modeling incorporates kinetic methods to simulate chemical reactions and 1-dimensional conductive heat flow models to simulate thermal histories of the Mississippian-Devonian Bakken Formation source rock. We developed thermal histories of the source rock for 53 wells in the basin using stratigraphic and heat flow data obtained by the University of North Dakota. Chemical kinetics for hydrocarbon generation, determined from Pyromat pyrolysis, were, then used with the diennal histories to calculate the present day value of the Rock-Eval T{sub max} for each well. The calculated Rock-Eval T{sub max} values agreed with measured values within amounts attributable to uncertainties in the chemical kinetics and the heat flow. These optimized thermal histories were then used with a more detailed chemical kinetic model of hydrocarbon generation and expulsion, modified from a model developed for the Cretaceous La Luna shale, to simulate pore pressure development and detailed aspects of the hydrocarbon chemistry. When compared to values estimated from sonic logs, the pore pressure calculation underestimates the role of hydrocarbon generation and overestimates the role of compaction disequilibrium, but it matches well the general areal extent of pore pressures of 0.7 times lithostatic and higher. The simulated chemistry agrees very well with measured values of HI, PI, H/C atomic ratio of the kerogen, and Rock-Eval S1. The model is not as successful in simulating the amount of extracted bitumen and its saturate content, suggesting that detailed hydrous pyrolysis experiments will probably be needed to further refine the chemical model.

  12. Probing deconfinement in a chiral effective model with Polyakov loop at imaginary chemical potential

    SciTech Connect (OSTI)

    Morita, Kenji [GSI, Helmholzzentrum fuer Schwerionenforschung, Planckstr. 1, D-64291 Darmstadt (Germany); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Skokov, Vladimir; Friman, Bengt [GSI, Helmholzzentrum fuer Schwerionenforschung, Planckstr. 1, D-64291 Darmstadt (Germany); Redlich, Krzysztof [Institute of Theoretical Physics, University of Wroclaw, PL-50204 Wroclaw (Poland); Extreme Matter Institute EMMI, GSI, Planckstr. 1, D-64291 Darmstadt (Germany)

    2011-10-01

    The phase structure of the two-flavor Polyakov-loop extended Nambu-Jona-Lashinio model is explored at finite temperature and imaginary chemical potential with a particular emphasis on the confinement-deconfinement transition. We point out that the confined phase is characterized by a cos3{mu}{sub I}/T dependence of the chiral condensate on the imaginary chemical potential while in the deconfined phase this dependence is given by cos{mu}{sub I}/T and accompanied by a cusp structure induced by the Z(3) transition. We demonstrate that the phase structure of the model strongly depends on the choice of the Polyakov loop potential U. Furthermore, we find that by changing the four fermion coupling constant G{sub s}, the location of the critical end point of the deconfinement transition can be moved into the real chemical potential region. We propose a new parameter characterizing the confinement-deconfinement transition.

  13. NSR&D FY15 Final Report. Modeling Mechanical, Thermal, and Chemical Effects of Impact

    SciTech Connect (OSTI)

    Long, Christopher Curtis; Ma, Xia; Zhang, Duan Zhong

    2015-11-02

    The main goal of this project is to develop a computer model that explains and predicts coupled mechanical, thermal and chemical responses of HE under impact and friction insults. The modeling effort is based on the LANL-developed CartaBlanca code, which is implemented with the dual domain material point (DDMP) method to calculate complex and coupled thermal, chemical and mechanical effects among fluids, solids and the transitions between the states. In FY 15, we have implemented the TEPLA material model for metal and performed preliminary can penetration simulation and begun to link with experiment. Currently, we are working on implementing a shock to detonation transition (SDT) model (SURF) and JWL equation of state.

  14. Reactive chemical transport in ground-water hydrology: Challenges to mathematical modeling

    SciTech Connect (OSTI)

    Narasimhan, T.N.; Apps, J.A.

    1990-07-01

    For a long time, earth scientists have qualitatively recognized that mineral assemblages in soils and rocks conform to established principles of chemistry. In the early 1960's geochemists began systematizing this knowledge by developing quantitative thermodynamic models based on equilibrium considerations. These models have since been coupled with advective-dispersive-diffusive transport models, already developed by ground-water hydrologists. Spurred by a need for handling difficult environmental issues related to ground-water contamination, these models are being improved, refined and applied to realistic problems of interest. There is little doubt that these models will play an important role in solving important problems of engineering as well as science over the coming years. Even as these models are being used practically, there is scope for their improvement and many challenges lie ahead. In addition to improving the conceptual basis of the governing equations, much remains to be done to incorporate kinetic processes and biological mediation into extant chemical equilibrium models. Much also remains to be learned about the limits to which model predictability can be reasonably taken. The purpose of this paper is to broadly assess the current status of knowledge in modeling reactive chemical transport and to identify the challenges that lie ahead.

  15. CKow -- A More Transparent and Reliable Model for Chemical Transfer to Meat and Milk

    SciTech Connect (OSTI)

    Rosenbaum, Ralph K.; McKone, Thomas E.; Jolliet, Olivier

    2009-03-01

    The objective of this study is to increase the understanding and transparency of chemical biotransfer modeling into meat and milk and explicitly confront the uncertainties in exposure assessments of chemicals that require such estimates. In cumulative exposure assessments that include food pathways, much of the overall uncertainty is attributable to the estimation of transfer into biota and through food webs. Currently, the most commonly used meat and milk-biotransfer models date back two decades and, in spite of their widespread use in multimedia exposure models few attempts have been made to advance or improve the outdated and highly uncertain Kow regressions used in these models. Furthermore, in the range of Kow where meat and milk become the dominant human exposure pathways, these models often provide unrealistic rates and do not reflect properly the transfer dynamics. To address these issues, we developed a dynamic three-compartment cow model (called CKow), distinguishing lactating and non-lactating cows. For chemicals without available overall removal rates in the cow, a correlation is derived from measured values reported in the literature to predict this parameter from Kow. Results on carry over rates (COR) and biotransfer factors (BTF) demonstrate that a steady-state ratio between animal intake and meat concentrations is almost never reached. For meat, empirical data collected on short term experiments need to be adjusted to provide estimates of average longer term behaviors. The performance of the new model in matching measurements is improved relative to existing models--thus reducing uncertainty. The CKow model is straight forward to apply at steady state for milk and dynamically for realistic exposure durations for meat COR.

  16. Development of Chemical Model to Predict the Interactions between Supercritical CO2and Fluid, and Rocks in EGS Reservoirs

    Broader source: Energy.gov [DOE]

    This project will develop a chemical model, based on existing models and databases, that is capable of simulating chemical reactions between supercritical (SC) CO2 and Enhanced Geothermal System (EGS) reservoir rocks of various compositions in aqueous, non-aqueous and 2-phase environments.

  17. COSMOLOGICAL SIMULATIONS OF INTERGALACTIC MEDIUM EVOLUTION. I. TEST OF THE SUBGRID CHEMICAL ENRICHMENT MODEL

    SciTech Connect (OSTI)

    Côté, Benoit; Martel, Hugo; Drissen, Laurent

    2013-11-10

    We present a one-zone galactic chemical enrichment model that takes into account the contribution of stellar winds from massive stars under the effect of rotation, Type II supernovae, hypernovae, stellar winds from low- and intermediate-mass stars, and Type Ia supernovae. This enrichment model will be implemented in a galactic model designed to be used as a subgrid treatment for galaxy evolution and outflow generation in large-scale cosmological simulations, in order to study the evolution of the intergalactic medium. We test our enrichment prescription by comparing its predictions with the metallicity distribution function and the abundance patterns of 14 chemical elements observed in the Milky Way stars. To do so, we combine the effect of many stellar populations created from the star formation history of the Galaxy in the solar neighborhood. For each stellar population, we keep track of its specific mass, initial metallicity, and age. We follow the time evolution of every population in order to respect the time delay between the various stellar phases. Our model is able to reproduce the observed abundances of C, O, Na, Mg, Al, S, and Ca. For Si, Cr, Mn, Ni, Cu, and Zn, the fits are still reasonable, but improvements are needed. We marginally reproduce the nitrogen abundance in very low metallicity stars. Overall, our results are consistent with the predicted abundance ratios seen in previous studies of the enrichment history of the Milky Way. We have demonstrated that our semi-analytic one-zone model, which cannot deal with spatial information such as the metallicity gradient, can nevertheless successfully reproduce the global Galactic enrichment evolution obtained by more complex models, at a fraction of the computational cost. This model is therefore suitable for a subgrid treatment of chemical enrichment in large-scale cosmological simulations.

  18. Attempt to estimate measurement uncertainty in the Air Force Toxic Chemical Dispersion (AFTOX) model. Master's thesis

    SciTech Connect (OSTI)

    Zettlemoyer, M.D.

    1990-01-01

    The Air Force Toxic Chemical Dispersion (AFTOX) model is a Gaussian puff dispersion model that predicts plumes, concentrations, and hazard distances of toxic chemical spills. A measurement uncertainty propagation formula derived by Freeman et al. (1986) is used within AFTOX to estimate resulting concentration uncertainties due to the effects of data input uncertainties in wind speed, spill height, emission rate, and the horizontal and vertical Gaussian dispersion parameters, and the results are compared to true uncertainties as estimated by standard deviations computed by Monte Carlo simulations. The measurement uncertainty uncertainty propagation formula was found to overestimate measurement uncertainty in AFTOX-calculated concentrations by at least 350 percent, with overestimates worsening with increasing stability and/or increasing measurement uncertainty.

  19. CURRENT - A Computer Code for Modeling Two-Dimensional, Chemically Reaccting, Low Mach Number Flows

    SciTech Connect (OSTI)

    Winters, W.S.; Evans, G.H.; Moen, C.D.

    1996-10-01

    This report documents CURRENT, a computer code for modeling two- dimensional, chemically reacting, low Mach number flows including the effects of surface chemistry. CURRENT is a finite volume code based on the SIMPLER algorithm. Additional convergence acceleration for low Peclet number flows is provided using improved boundary condition coupling and preconditioned gradient methods. Gas-phase and surface chemistry is modeled using the CHEMKIN software libraries. The CURRENT user-interface has been designed to be compatible with the Sandia-developed mesh generator and post processor ANTIPASTO and the post processor TECPLOT. This report describes the theory behind the code and also serves as a user`s manual.

  20. Quasiclassical approach to partition functions of ions in a chemical plasma model

    SciTech Connect (OSTI)

    Shpatakovskaya, G. V.

    2008-03-15

    The partition functions of ions that are used in a chemical plasma model are estimated by the Thomas-Fermi free ion model without reference to empirical data. Different form factors limiting the number of the excitation levels taken into account are considered, namely, those corresponding to the average atomic radius criterion, the temperature criterion, and the Planck-Brillouin-Larkin approximation. Expressions are presented for the average excitation energy and for the temperature and volume derivatives of the partition function. A comparison with the results of the empirical approach is made for the aluminum and iron plasmas.

  1. A NEW CHEMICAL EVOLUTION MODEL FOR DWARF SPHEROIDAL GALAXIES BASED ON OBSERVED LONG STAR FORMATION HISTORIES

    SciTech Connect (OSTI)

    Homma, Hidetomo; Murayama, Takashi; Kobayashi, Masakazu A. R.; Taniguchi, Yoshiaki

    2015-02-01

    We present a new chemical evolution model for dwarf spheroidal galaxies (dSphs) in the local universe. Our main aim is to explain both their observed star formation histories and metallicity distribution functions simultaneously. Applying our new model for the four local dSphs, that is, Fornax, Sculptor, LeoII, and Sextans, we find that our new model reproduces the observed chemical properties of the dSphs consistently. Our results show that the dSphs have evolved with both a low star formation efficiency and a large gas outflow efficiency compared with the Milky Way, as suggested by previous works. Comparing the observed [?/Fe]-[Fe/H] relation of the dSphs with the model predictions, we find that our model favors a longer onset time of TypeIa supernovae (i.e., 0.5Gyr) than that suggested in previous studies (i.e., 0.1Gyr). We discuss the origin of this discrepancy in detail.

  2. Process Intensification - Chemical Sector Focus

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Process Intensification - Chemical Sector Focus 1 Technology Assessment 2 Contents 3 1. Introduction ..................................................................................................................................................................... 1 4 2. Technology Assessment and Potential ................................................................................................................. 5 5 2.1 Chemical Industry Focus

  3. On chemical distances and shape theorems in percolation models with long-range correlations

    SciTech Connect (OSTI)

    Drewitz, Alexander; Rth, Balzs; Sapozhnikov, Artm

    2014-08-01

    In this paper, we provide general conditions on a one parameter family of random infinite subsets of Z{sup d} to contain a unique infinite connected component for which the chemical distances are comparable to the Euclidean distance. In addition, we show that these conditions also imply a shape theorem for the corresponding infinite connected component. By verifying these conditions for specific models, we obtain novel results about the structure of the infinite connected component of the vacant set of random interlacements and the level sets of the Gaussian free field. As a byproduct, we obtain alternative proofs to the corresponding results for random interlacements in the work of Cern and Popov [On the internal distance in the interlacement set, Electron. J. Probab. 17(29), 125 (2012)], and while our main interest is in percolation models with long-range correlations, we also recover results in the spirit of the work of Antal and Pisztora [On the chemical distance for supercritical Bernoulli percolation, Ann Probab. 24(2), 10361048 (1996)] for Bernoulli percolation. Finally, as a corollary, we derive new results about the (chemical) diameter of the largest connected component in the complement of the trace of the random walk on the torus.

  4. Dynamic Modeling of Learning in Emerging Energy Industries: The Example of Advanced Biofuels in the United States: Preprint

    SciTech Connect (OSTI)

    Vimmerstedt, Laura J.; Bush, Brian W.; Peterson, Steven O.

    2015-09-03

    This paper (and its supplemental model) presents novel approaches to modeling interactions and related policies among investment, production, and learning in an emerging competitive industry. New biomass-to-biofuels pathways are being developed and commercialized to support goals for U.S. advanced biofuel use, such as those in the Energy Independence and Security Act of 2007. We explore the impact of learning rates and techno-economics in a learning model excerpted from the Biomass Scenario Model (BSM), developed by the U.S. Department of Energy and the National Renewable Energy Laboratory to explore the impact of biofuel policy on the evolution of the biofuels industry. The BSM integrates investment, production, and learning among competing biofuel conversion options that are at different stages of industrial development. We explain the novel methods used to simulate the impact of differing assumptions about mature industry techno-economics and about learning rates while accounting for the different maturity levels of various conversion pathways. A sensitivity study shows that the parameters studied (fixed capital investment, process yield, progress ratios, and pre-commercial investment) exhibit highly interactive effects, and the system, as modeled, tends toward market dominance of a single pathway due to competition and learning dynamics.

  5. A THREE-PHASE CHEMICAL MODEL OF HOT CORES: THE FORMATION OF GLYCINE

    SciTech Connect (OSTI)

    Garrod, Robin T.

    2013-03-01

    A new chemical model is presented that simulates fully coupled gas-phase, grain-surface, and bulk-ice chemistry in hot cores. Glycine (NH{sub 2}CH{sub 2}COOH), the simplest amino acid, and related molecules such as glycinal, propionic acid, and propanal, are included in the chemical network. Glycine is found to form in moderate abundance within and upon dust-grain ices via three radical-addition mechanisms, with no single mechanism strongly dominant. Glycine production in the ice occurs over temperatures {approx}40-120 K. Peak gas-phase glycine fractional abundances lie in the range 8 Multiplication-Sign 10{sup -11}-8 Multiplication-Sign 10{sup -9}, occurring at {approx}200 K, the evaporation temperature of glycine. A gas-phase mechanism for glycine production is tested and found insignificant, even under optimal conditions. A new spectroscopic radiative-transfer model is used, allowing the translation and comparison of the chemical-model results with observations of specific sources. Comparison with the nearby hot-core source NGC 6334 IRS1 shows excellent agreement with integrated line intensities of observed species, including methyl formate. The results for glycine are consistent with the current lack of a detection of this molecule toward other sources; the high evaporation temperature of glycine renders the emission region extremely compact. Glycine detection with ALMA is predicted to be highly plausible, for bright, nearby sources with narrow emission lines. Photodissociation of water and subsequent hydrogen abstraction from organic molecules by OH, and NH{sub 2}, are crucial to the buildup of complex organic species in the ice. The inclusion of alternative branches within the network of radical-addition reactions appears important to the abundances of hot-core molecules; less favorable branching ratios may remedy the anomalously high abundance of glycolaldehyde predicted by this and previous models.

  6. CPUF - a chemical-structure-based polyurethane foam decomposition and foam response model.

    SciTech Connect (OSTI)

    Fletcher, Thomas H. (Brigham Young University, Provo, UT); Thompson, Kyle Richard; Erickson, Kenneth L.; Dowding, Kevin J.; Clayton, Daniel (Brigham Young University, Provo, UT); Chu, Tze Yao; Hobbs, Michael L.; Borek, Theodore Thaddeus III

    2003-07-01

    A Chemical-structure-based PolyUrethane Foam (CPUF) decomposition model has been developed to predict the fire-induced response of rigid, closed-cell polyurethane foam-filled systems. The model, developed for the B-61 and W-80 fireset foam, is based on a cascade of bondbreaking reactions that produce CO2. Percolation theory is used to dynamically quantify polymer fragment populations of the thermally degrading foam. The partition between condensed-phase polymer fragments and gas-phase polymer fragments (i.e. vapor-liquid split) was determined using a vapor-liquid equilibrium model. The CPUF decomposition model was implemented into the finite element (FE) heat conduction codes COYOTE and CALORE, which support chemical kinetics and enclosure radiation. Elements were removed from the computational domain when the calculated solid mass fractions within the individual finite element decrease below a set criterion. Element removal, referred to as ?element death,? creates a radiation enclosure (assumed to be non-participating) as well as a decomposition front, which separates the condensed-phase encapsulant from the gas-filled enclosure. All of the chemistry parameters as well as thermophysical properties for the CPUF model were obtained from small-scale laboratory experiments. The CPUF model was evaluated by comparing predictions to measurements. The validation experiments included several thermogravimetric experiments at pressures ranging from ambient pressure to 30 bars. Larger, component-scale experiments were also used to validate the foam response model. The effects of heat flux, bulk density, orientation, embedded components, confinement and pressure were measured and compared to model predictions. Uncertainties in the model results were evaluated using a mean value approach. The measured mass loss in the TGA experiments and the measured location of the decomposition front were within the 95% prediction limit determined using the CPUF model for all of the

  7. CHEMICAL ANALYSIS OF SIMULATED HIGH LEVEL WASTE GLASSES TO SUPPORT SULFATE SOLUBILITY MODELING

    SciTech Connect (OSTI)

    Fox, K.; Marra, J.

    2014-08-14

    The U.S. Department of Energy (DOE), Office of Environmental Management (EM) is sponsoring an international, collaborative project to develop a fundamental model for sulfate solubility in nuclear waste glass. The solubility of sulfate has a significant impact on the achievable waste loading for nuclear waste forms both within the DOE complex and to some extent at U.K. sites. The development of enhanced borosilicate glass compositions with improved sulfate solubility will allow for higher waste loadings and accelerated cleanup missions. Much of the previous work on improving sulfate retention in waste glasses has been done on an empirical basis, making it difficult to apply the findings to future waste compositions despite the large number of glass systems studied. A more fundamental, rather than empirical, model of sulfate solubility in glass, under development at Sheffield Hallam University (SHU), could provide a solution to the issues of sulfate solubility. The model uses the normalized cation field strength index as a function of glass composition to predict sulfate capacity, and has shown early success for some glass systems. The objective of the current scope is to mature the sulfate solubility model to the point where it can be used to guide glass composition development for DOE waste vitrification efforts, allowing for enhanced waste loadings and waste throughput. A series of targeted glass compositions was selected to resolve data gaps in the current model. SHU fabricated these glasses and sent samples to the Savannah River National Laboratory (SRNL) for chemical composition analysis. SHU will use the resulting data to enhance the sulfate solubility model and resolve any deficiencies. In this report, SRNL provides chemical analyses for simulated waste glasses fabricated SHU in support of sulfate solubility model development. A review of the measured compositions revealed that there are issues with the B{sub 2}O{sub 3} and Fe{sub 2}O{sub 3} concentrations

  8. Chemical Science

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical Science Chemical Science National security depends on science and technology. The United States relies on Los Alamos National Laboratory for the best of both. No place on Earth pursues a broader array of world-class scientific endeavors. Actinide Chemistry» Modeling and Simulation in the Chemical Sciences» Synthetic and Mechanistic Chemistry» Chemistry for Measurement and Detection Science» Chemical Researcher Jeff Pietryga shows two vials of different-size nanocrystals, each

  9. Comparing three vegetation monoterpene emission models to measured gas concentrations with a model of meteorology, air chemistry and chemical transport

    SciTech Connect (OSTI)

    Smolander, S.; He, Q.; Mogensen, Ditte; Zhou, L.; Back, J.; Ruuskanen, T.; Noe, S.; Guenther, Alex B.; Aaltonen, H.; Kulmala, M.; Boy, Michael

    2014-10-07

    Biogenic volatile organic compounds (BVOCs) are essential in atmospheric chemistry because of their chemical reactions that produce and destroy tropospheric ozone, their effects on aerosol formation and growth, and their potential influence on global warming. As one of the important BVOC groups, monoterpenes have been a focus of scientific attention in atmospheric research. Detailed regional measurements and model estimates are needed to study emission potential and the monoterpene budget on a global scale. Since the use of empirical measurements for upscaling is limited by many physical and biological factors such as genetic variation, temperature and light, water availability, seasonal changes, and environmental stresses, comprehensive inventories over larger areas are difficult to obtain.

  10. Development and Validation of a Slurry Model for Chemical Hydrogen Storage in Fuel Cell Applications

    SciTech Connect (OSTI)

    Brooks, Kriston P.; Pires, Richard P.; Simmons, Kevin L.

    2014-07-25

    The US Department of Energy's (DOE) Hydrogen Storage Engineering Center of Excellence (HSECoE) is developing models for hydrogen storage systems for fuel cell-based light duty vehicle applications for a variety of promising materials. These transient models simulate the performance of the storage system for comparison to the DOE’s Technical Targets and a set of four drive cycles. The purpose of this research is to describe the models developed for slurry-based chemical hydrogen storage materials. The storage systems of both a representative exothermic system based on ammonia borane and endothermic system based on alane were developed and modeled in Simulink®. Once complete the reactor and radiator components of the model were validated with experimental data. The model was then run using a highway cycle, an aggressive cycle, cold-start cycle and hot drive cycle. The system design was adjusted to meet these drive cycles. A sensitivity analysis was then performed to identify the range of material properties where these DOE targets and drive cycles could be met. Materials with a heat of reaction greater than 11 kJ/mol H2 generated and a slurry hydrogen capacity of greater than 11.4% will meet the on-board efficiency and gravimetric capacity targets, respectively.

  11. Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays

    SciTech Connect (OSTI)

    Shin, Hyeong -Moo; Ernstoff, Alexi; Arnot, Jon A.; Wetmore, Barbara A.; Csiszar, Susan A.; Fantke, Peter; Zhang, Xianming; McKone, Thomas E.; Jolliet, Olivier; Bennett, Deborah H.

    2015-05-01

    We present a risk-based high-throughput screening (HTS) method to identify chemicals for potential health concerns or for which additional information is needed. The method is applied to 180 organic chemicals as a case study. We first obtain information on how the chemical is used and identify relevant use scenarios (e.g., dermal application, indoor emissions). For each chemical and use scenario, exposure models are then used to calculate a chemical intake fraction, or a product intake fraction, accounting for chemical properties and the exposed population. We then combine these intake fractions with use scenario-specific estimates of chemical quantity to calculate daily intake rates (iR; mg/kg/day). These intake rates are compared to oral equivalent doses (OED; mg/kg/day), calculated from a suite of ToxCast in vitro bioactivity assays using in vitro-to-in vivo extrapolation and reverse dosimetry. Bioactivity quotients (BQs) are calculated as iR/OED to obtain estimates of potential impact associated with each relevant use scenario. Of the 180 chemicals considered, 38 had maximum iRs exceeding minimum OEDs (i.e., BQs > 1). For most of these compounds, exposures are associated with direct intake, food/oral contact, or dermal exposure. The method provides high-throughput estimates of exposure and important input for decision makers to identify chemicals of concern for further evaluation with additional information or more refined models.

  12. Risk-based high-throughput chemical screening and prioritization using exposure models and in vitro bioactivity assays

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shin, Hyeong -Moo; Ernstoff, Alexi; Arnot, Jon A.; Wetmore, Barbara A.; Csiszar, Susan A.; Fantke, Peter; Zhang, Xianming; McKone, Thomas E.; Jolliet, Olivier; Bennett, Deborah H.

    2015-05-01

    We present a risk-based high-throughput screening (HTS) method to identify chemicals for potential health concerns or for which additional information is needed. The method is applied to 180 organic chemicals as a case study. We first obtain information on how the chemical is used and identify relevant use scenarios (e.g., dermal application, indoor emissions). For each chemical and use scenario, exposure models are then used to calculate a chemical intake fraction, or a product intake fraction, accounting for chemical properties and the exposed population. We then combine these intake fractions with use scenario-specific estimates of chemical quantity to calculate dailymore » intake rates (iR; mg/kg/day). These intake rates are compared to oral equivalent doses (OED; mg/kg/day), calculated from a suite of ToxCast in vitro bioactivity assays using in vitro-to-in vivo extrapolation and reverse dosimetry. Bioactivity quotients (BQs) are calculated as iR/OED to obtain estimates of potential impact associated with each relevant use scenario. Of the 180 chemicals considered, 38 had maximum iRs exceeding minimum OEDs (i.e., BQs > 1). For most of these compounds, exposures are associated with direct intake, food/oral contact, or dermal exposure. The method provides high-throughput estimates of exposure and important input for decision makers to identify chemicals of concern for further evaluation with additional information or more refined models.« less

  13. Industrial Strength Pipes

    Energy Science and Technology Software Center (OSTI)

    2006-01-23

    Industrial Strength Pipes (ISP) is a toolkit for construction pipeline applications using the UNIX pipe and filter model.

  14. Physical and Computational Modeling for Chemical and Biological Weapons Airflow Applications

    SciTech Connect (OSTI)

    McEligot, Donald Marinus; Mc Creery, Glenn Ernest; Pink, Robert John; Barringer, C.; Knight, K. J.

    2002-11-01

    There is a need for information on dispersion and infiltration of chemical and biological agents in complex building environments. A recent collaborative study conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) and Bechtel Corporation Research and Development had the objective of assessing computational fluid dynamics (CFD) models for simulation of flow around complicated buildings through a comparison of experimental and numerical results. The test facility used in the experiments was INEEL’s unique large Matched-Index-of-Refraction (MIR) flow system. The CFD code used for modeling was Fluent, a widely available commercial flow simulation package. For the experiment, a building plan was selected to approximately represent an existing facility. It was found that predicted velocity profiles from above the building and in front of the building were in good agreement with the measurements.

  15. Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model

    SciTech Connect (OSTI)

    Nakai, Hiromi; Ishikawa, Atsushi

    2014-11-07

    We propose a novel quantum chemical method, called the harmonic solvation model (HSM), for calculating thermochemical parameters in the condensed phase, particularly in the liquid phase. The HSM represents translational and rotational motions of a solute as vibrations interacting with a cavity wall of solvent molecules. As examples, the HSM and the ideal-gas model (IGM) were used for the standard formation reaction of liquid water, combustion reactions of liquid formic acid, methanol, and ethanol, vapor–liquid equilibration of water and ethanol, and dissolution of gaseous CO{sub 2} in water. The numerical results confirmed the reliability and applicability of the HSM. In particular, the temperature dependence of the Gibbs energy of liquid molecules was accurately reproduced by the HSM; for example, the boiling point of water was reasonably determined using the HSM, whereas the conventional IGM treatment failed to obtain a crossing of the two Gibbs energy curves for gaseous and liquid water.

  16. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1995-11-08

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. The experiment conditions range from 10--15 atm, 650--800 K, and were performed at a residence time of 200 {micro}s for propane-air mixtures at an equivalence ratio of 0.4. The experimental results include data on negative temperature coefficient (NTC) behavior, where the chemistry describing this phenomena is considered critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. The model simulates properly the production of many of the major and minor species observed in the experiments. Numerical simulations show many of the key reactions involving propylperoxy radicals are in partial equilibrium at 10--15 atm. This indicates that their relative concentrations are controlled by a combination of thermochemistry and rate of minor reaction channels (bleed reactions) rather than primary reaction rates. This suggests that thermodynamic parameters of the oxygenated species, which govern equilibrium concentrations, are important. The modeling results show propyl radical and hydroperoxy-propyl radicals reaction with O{sub 2} proceeds, primarily, through thermalized adducts, not chemically activated channels.

  17. Chemical-Specific Representation of Air-Soil Exchange and Soil Penetration in Regional Multimedia Models

    SciTech Connect (OSTI)

    McKone, T.E.; Bennett, D.H.

    2002-08-01

    In multimedia mass-balance models, the soil compartment is an important sink as well as a conduit for transfers to vegetation and shallow groundwater. Here a novel approach for constructing soil transport algorithms for multimedia fate models is developed and evaluated. The resulting algorithms account for diffusion in gas and liquid components; advection in gas, liquid, or solid phases; and multiple transformation processes. They also provide an explicit quantification of the characteristic soil penetration depth. We construct a compartment model using three and four soil layers to replicate with high reliability the flux and mass distribution obtained from the exact analytical solution describing the transient dispersion, advection, and transformation of chemicals in soil with fixed properties and boundary conditions. Unlike the analytical solution, which requires fixed boundary conditions, the soil compartment algorithms can be dynamically linked to other compartments (air, vegetation, ground water, surface water) in multimedia fate models. We demonstrate and evaluate the performance of the algorithms in a model with applications to benzene, benzo(a)pyrene, MTBE, TCDD, and tritium.

  18. CHEMICAL TRANSPORT IN A FISSURED BOCK: VERIFICATION OF A NUMERICAL MODEL

    SciTech Connect (OSTI)

    Rasmuson, A.; Narasimhan, T.N.; Neretnieks, I.

    1982-04-01

    Numerical models for simulating chemical transport in fissured rocks constitute powerful tools for evaluating the acceptability of geological nuclear waste repositories. Due to the very long-term, high toxicity of some nuclear waste products, the models are required to predict, in certain cases, the spatial and temporal distribution of chemical concentration less than 0.001% of the concentration released from the repository. Whether numerical models can provide such accuracies is a major question addressed in the present work. To this end, we have verified a numerical model, TRUMP, which solves the advective diffusion equation in general three dimensions with or without decay and source terms. The method is based on an integrated finite-difference approach. The model was verified against known analytic solution of the one-dimensional advection-diffusion problem as well as the problem of advection-diffusion in a system of parallel fractures separated by spherical particles. The studies show that as long as the magnitude of advectance is equal to or less than that of conductance for the closed surface bounding any volume element in the region (that is, numerical Peclet number <2), the numerical method can indeed match the analytic solution within errors of ±10{sup -3} % or less. The realistic input parameters used in the sample calculations suggest that such a range of Peclet numbers is indeed likely to characterize deep groundwater systems in granitic and ancient argillaceous systems. Thus TRUMP in its present form does provide a viable tool for use in nuclear waste evaluation studies. A sensitivity analysis based on the analytic solution suggests that the errors in prediction introduced due to uncertainties in input parameters is likely to be larger than the computational inaccuracies introduced by the numerical model. Currently, a disadvantage in the TRUMP model is that the iterative method of solving the set of simultaneous equations is rather slow when time

  19. Determination of Electrochemical Performance and Thermo-Mechanical-Chemical Stability of SOFCs from Defect Modeling

    SciTech Connect (OSTI)

    Eric Wachsman; Keith L. Duncan

    2006-09-30

    This research was focused on two distinct but related issues. The first issue concerned using defect modeling to understand the relationship between point defect concentration and the electrochemical, thermo-chemical and mechano-chemical properties of typical solid oxide fuel cell (SOFC) materials. The second concerned developing relationships between the microstructural features of SOFC materials and their electrochemical performance. To understand the role point defects play in ceramics, a coherent analytical framework was used to develop expressions for the dependence of thermal expansion and elastic modulus on point defect concentration in ceramics. These models, collectively termed the continuum-level electrochemical model (CLEM), were validated through fits to experimental data from electrical conductivity, I-V characteristics, elastic modulus and thermo-chemical expansion experiments for (nominally pure) ceria, gadolinia-doped ceria (GDC) and yttria-stabilized zirconia (YSZ) with consistently good fits. The same values for the material constants were used in all of the fits, further validating our approach. As predicted by the continuum-level electrochemical model, the results reveal that the concentration of defects has a significant effect on the physical properties of ceramic materials and related devices. Specifically, for pure ceria and GDC, the elastic modulus decreased while the chemical expansion increased considerably in low partial pressures of oxygen. Conversely, the physical properties of YSZ remained insensitive to changes in oxygen partial pressure within the studied range. Again, the findings concurred exactly with the predictions of our analytical model. Indeed, further analysis of the results suggests that an increase in the point defect content weakens the attractive forces between atoms in fluorite-structured oxides. The reduction treatment effects on the flexural strength and the fracture toughness of pure ceria were also evaluated at

  20. Enhanced Geothermal Systems Research and Development: Models of Subsurface Chemical Processes Affecting Fluid Flow

    SciTech Connect (OSTI)

    Moller, Nancy; Weare J. H.

    2008-05-29

    Successful exploitation of the vast amount of heat stored beneath the earth’s surface in hydrothermal and fluid-limited, low permeability geothermal resources would greatly expand the Nation’s domestic energy inventory and thereby promote a more secure energy supply, a stronger economy and a cleaner environment. However, a major factor limiting the expanded development of current hydrothermal resources as well as the production of enhanced geothermal systems (EGS) is insufficient knowledge about the chemical processes controlling subsurface fluid flow. With funding from past grants from the DOE geothermal program and other agencies, we successfully developed advanced equation of state (EOS) and simulation technologies that accurately describe the chemistry of geothermal reservoirs and energy production processes via their free energies for wide XTP ranges. Using the specific interaction equations of Pitzer, we showed that our TEQUIL chemical models can correctly simulate behavior (e.g., mineral scaling and saturation ratios, gas break out, brine mixing effects, down hole temperatures and fluid chemical composition, spent brine incompatibilities) within the compositional range (Na-K-Ca-Cl-SO4-CO3-H2O-SiO2-CO2(g)) and temperature range (T < 350°C) associated with many current geothermal energy production sites that produce brines with temperatures below the critical point of water. The goal of research carried out under DOE grant DE-FG36-04GO14300 (10/1/2004-12/31/2007) was to expand the compositional range of our Pitzer-based TEQUIL fluid/rock interaction models to include the important aluminum and silica interactions (T < 350°C). Aluminum is the third most abundant element in the earth’s crust; and, as a constituent of aluminosilicate minerals, it is found in two thirds of the minerals in the earth’s crust. The ability to accurately characterize effects of temperature, fluid mixing and interactions between major rock-forming minerals and hydrothermal and

  1. MODELING DISPERSION FROM CHEMICALS RELEASED AFTER A TRAIN COLLISION IN GRANITEVILLE, SOUTH CAROLINA

    SciTech Connect (OSTI)

    Buckley, R; Chuck Hunter, C; Robert Addis, R; Matt Parker, M

    2006-08-07

    The Savannah River National Laboratory's (SRNL) Weather INformation and Display (WIND) System was used to provide meteorological and atmospheric modeling/consequence assessment support to state and local agencies following the collision of two Norfolk Southern freight trains on the morning of January 6, 2005. This collision resulted in the release of several toxic chemicals to the environment, including chlorine. The dense and highly toxic cloud of chlorine gas that formed in the vicinity of the accident was responsible for nine fatalities, and caused injuries to more than five hundred others. Transport model results depicting the forecast path of the ongoing release were made available to emergency managers in the county's Unified Command Center shortly after SRNL received a request for assistance. Support continued over the ensuing two days of the active response. The SRNL also provided weather briefings and transport/consequence assessment model results to responders from South Carolina Department of Health and Environmental Control (SCDHEC), the Savannah River Site's (SRS) Emergency Operations Center (EOC), Department of Energy Headquarters, and hazmat teams dispatched from the SRS. Although model-generated forecast winds used in consequence assessments conducted during the incident were provided at 2-km horizontal grid spacing during the accident response, a high-resolution Regional Atmospheric Modeling System (RAMS, version 4.3.0) simulation was later performed to examine potential influences of local topography on plume migration. The detailed RAMS simulation was used to determine meteorology using multiple grids with an innermost grid spacing of 125 meters. Results from the two simulations are shown to generally agree with meteorological observations at the time; consequently, local topography did not significantly affect wind in the area. Use of a dense gas dispersion model to simulate localized plume behavior using the higher resolution winds indicated

  2. Modeling Wettability Alteration using Chemical EOR Processes in Naturally Fractured Reservoirs

    SciTech Connect (OSTI)

    Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

    2007-09-30

    The objective of our search is to develop a mechanistic simulation tool by adapting UTCHEM to model the wettability alteration in both conventional and naturally fractured reservoirs. This will be a unique simulator that can model surfactant floods in naturally fractured reservoir with coupling of wettability effects on relative permeabilities, capillary pressure, and capillary desaturation curves. The capability of wettability alteration will help us and others to better understand and predict the oil recovery mechanisms as a function of wettability in naturally fractured reservoirs. The lack of a reliable simulator for wettability alteration means that either the concept that has already been proven to be effective in the laboratory scale may never be applied commercially to increase oil production or the process must be tested in the field by trial and error and at large expense in time and money. The objective of Task 1 is to perform a literature survey to compile published data on relative permeability, capillary pressure, dispersion, interfacial tension, and capillary desaturation curve as a function of wettability to aid in the development of petrophysical property models as a function of wettability. The new models and correlations will be tested against published data. The models will then be implemented in the compositional chemical flooding reservoir simulator, UTCHEM. The objective of Task 2 is to understand the mechanisms and develop a correlation for the degree of wettability alteration based on published data. The objective of Task 3 is to validate the models and implementation against published data and to perform 3-D field-scale simulations to evaluate the impact of uncertainties in the fracture and matrix properties on surfactant alkaline and hot water floods.

  3. Capturing the response of Clostridium acetobutylicum to chemical stressors using a regulated genome-scale metabolic model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dash, Satyakam; Mueller, Thomas J.; Venkataramanan, Keerthi P.; Papoutsakis, Eleftherios T.; Maranas, Costas D.

    2014-10-14

    Clostridia are anaerobic Gram-positive Firmicutes containing broad and flexible systems for substrate utilization, which have been used successfully to produce a range of industrial compounds. Clostridium acetobutylicum has been used to produce butanol on an industrial scale through acetone-butanol-ethanol (ABE) fermentation. A genome-scale metabolic (GSM) model is a powerful tool for understanding the metabolic capacities of an organism and developing metabolic engineering strategies for strain development. The integration of stress related specific transcriptomics information with the GSM model provides opportunities for elucidating the focal points of regulation.

  4. Systems Modeling of Chemical Hydride Hydrogen Storage Materials for Fuel Cell Applications

    SciTech Connect (OSTI)

    Brooks, Kriston P.; Devarakonda, Maruthi N.; Rassat, Scot D.; Holladay, Jamelyn D.

    2011-10-05

    A fixed bed reactor was designed, modeled and simulated for hydrogen storage on-board the vehicle for PEM fuel cell applications. Ammonia Borane (AB) was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to {approx}16% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. The design evaluated consisted of a tank with 8 thermally isolated sections in which H2 flows freely between sections to provide ballast. Heating elements are used to initiate reactions in each section when pressure drops below a specified level in the tank. Reactor models in Excel and COMSOL were developed to demonstrate the proof-of-concept, which was then used to develop systems models in Matlab/Simulink. Experiments and drive cycle simulations showed that the storage system meets thirteen 2010 DOE targets in entirety and the remaining four at greater than 60% of the target.

  5. Chemical kinetic modeling of high pressure propane oxidation and comparison to experimental results. Revision 1

    SciTech Connect (OSTI)

    Koert, D.N.; Pitz, W.J.; Bozzelli, J.W.; Cernansky, N.P.

    1996-02-01

    A pressure dependent kinetic mechanism for propane oxidation is developed and compared to experimental data from a high pressure flow reactor. Experimental conditions range from 10--15 atm, 650--800 K, and a residence time of 198 ms for propane-air mixtures at an equivalence ratio of 0.4. The experimental results clearly indicate a negative temperature coefficient (NTC) behavior. The chemistry describing this phenomena is critical in understanding automotive engine knock and cool flame oscillations. Results of the numerical model are compared to a spectrum of stable species profiles sampled from the flow reactor. Rate constants and product channels for the reaction of propyl radicals, hydroperoxy-propyl radicals and important isomers (radicals) with O{sub 2} were estimated using thermodynamic properties, with multifrequency quantum Kassel Theory for k(E) coupled with modified strong collision analysis for fall-off. Results of the chemical kinetic model show an NTC region over nearly the same temperature regime as observed in the experiments. Sensitivity analysis identified the key reaction steps that control the rate of oxidation in the NTC region. The model reasonably simulates the profiles for many of the major and minor species observed in the experiments.

  6. ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Energy and Environmental Profile of the U.S. Chemical Industry, May 2000 ITP Chemicals: Energy and Environmental Profile of the U.S. Chemical Industry, May 2000 PDF icon ...

  7. Chemical Sector Analysis | NISAC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NISACChemical Sector Analysis content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability provides a different but complementary perspective on the questions of interest-questions like Given an event, will the entire chemical sector be impacted or just parts? Which chemicals, plants,

  8. Density functional investigation of intermolecular effects on {sup 13}C NMR chemical-shielding tensors modeled with molecular clusters

    SciTech Connect (OSTI)

    Holmes, Sean T.; Dybowski, Cecil; Iuliucci, Robbie J.; Mueller, Karl T.

    2014-10-28

    A quantum-chemical method for modeling solid-state nuclear magnetic resonance chemical-shift tensors by calculations on large symmetry-adapted clusters of molecules is demonstrated. Four hundred sixty five principal components of the {sup 13}C chemical-shielding tensors of 24 organic materials are analyzed. The comparison of calculations on isolated molecules with molecules in clusters demonstrates that intermolecular effects can be successfully modeled using a cluster that represents a local portion of the lattice structure, without the need to use periodic-boundary conditions (PBCs). The accuracy of calculations which model the solid state using a cluster rivals the accuracy of calculations which model the solid state using PBCs, provided the cluster preserves the symmetry properties of the crystalline space group. The size and symmetry conditions that the model cluster must satisfy to obtain significant agreement with experimental chemical-shift values are discussed. The symmetry constraints described in the paper provide a systematic approach for incorporating intermolecular effects into chemical-shielding calculations performed at a level of theory that is more advanced than the generalized gradient approximation. Specifically, NMR parameters are calculated using the hybrid exchange-correlation functional B3PW91, which is not available in periodic codes. Calculations on structures of four molecules refined with density plane waves yield chemical-shielding values that are essentially in agreement with calculations on clusters where only the hydrogen sites are optimized and are used to provide insight into the inherent sensitivity of chemical shielding to lattice structure, including the role of rovibrational effects.

  9. TWO-COMPONENT GALACTIC BULGE PROBED WITH RENEWED GALACTIC CHEMICAL EVOLUTION MODEL

    SciTech Connect (OSTI)

    Tsujimoto, Takuji [National Astronomical Observatory of Japan, Mitaka-shi, Tokyo 181-8588 (Japan); Bekki, Kenji, E-mail: taku.tsujimoto@nao.ac.jp [ICRAR, M468, University of Western Australia, 35 Stirling Highway, Crawley Western Australia 6009 (Australia)

    2012-03-10

    Results of recent observations of the Galactic bulge demand that we discard a simple picture of its formation, suggesting the presence of two stellar populations represented by two peaks of stellar metallicity distribution (MDF) in the bulge. To assess this issue, we construct Galactic chemical evolution models that have been updated in two respects: first, the delay time distribution of Type Ia supernovae (SNe Ia) recently revealed by extensive SN Ia surveys is incorporated into the models. Second, the nucleosynthesis clock, the s-processing in asymptotic giant branch stars, is carefully considered in this study. This novel model first shows that the Galaxy feature tagged by the key elements, Mg, Fe, and Ba, for the bulge as well as thin and thick disks is compatible with a short-delay SN Ia. We present a successful modeling of a two-component bulge including the MDF and the evolutions of [Mg/Fe] and [Ba/Mg], and reveal its origin as follows. A metal-poor component (([Fe/H]) {approx} -0.5) is formed with a relatively short timescale of {approx}1 Gyr. These properties are identical to the thick disk's characteristics in the solar vicinity. Subsequently from its remaining gas mixed with a gas flow from the disk outside the bulge, a metal-rich component (([Fe/H]) {approx} +0.3) is formed with a longer timescale ({approx}4 Gyr) together with a top-heavy initial mass function that might be identified with the thin disk component within the bulge.

  10. Hydrodynamic Modeling of Air Blast Propagation from the Humble Redwood Chemical High Explosive Detonations Using GEODYN

    SciTech Connect (OSTI)

    Chipman, V D

    2011-09-20

    Two-dimensional axisymmetric hydrodynamic models were developed using GEODYN to simulate the propagation of air blasts resulting from a series of high explosive detonations conducted at Kirtland Air Force Base in August and September of 2007. Dubbed Humble Redwood I (HR-1), these near-surface chemical high explosive detonations consisted of seven shots of varying height or depth of burst. Each shot was simulated numerically using GEODYN. An adaptive mesh refinement scheme based on air pressure gradients was employed such that the mesh refinement tracked the advancing shock front where sharp discontinuities existed in the state variables, but allowed the mesh to sufficiently relax behind the shock front for runtime efficiency. Comparisons of overpressure, sound speed, and positive phase impulse from the GEODYN simulations were made to the recorded data taken from each HR-1 shot. Where the detonations occurred above ground or were shallowly buried (no deeper than 1 m), the GEODYN model was able to simulate the sound speeds, peak overpressures, and positive phase impulses to within approximately 1%, 23%, and 6%, respectively, of the actual recorded data, supporting the use of numerical simulation of the air blast as a forensic tool in determining the yield of an otherwise unknown explosion.

  11. Kinetics Study of Solid Ammonia Borane Hydrogen Release Modeling and Experimental Validation for Chemical Hydrogen Storage

    SciTech Connect (OSTI)

    Choi, Yong-Joon; Ronnebro, Ewa; Rassat, Scot D.; Karkamkar, Abhijeet J.; Maupin, Gary D.; Holladay, Jamelyn D.; Simmons, Kevin L.; Brooks, Kriston P.

    2014-02-24

    Ammonia borane (AB), NH3BH3, is a promising material for chemical hydrogen storage with 19.6 wt% gravimetric hydrogen capacity of which 16.2 wt% hydrogen can be utilized below 200C. We have investigated the kinetics of hydrogen release from AB and from an AB-methyl cellulose (AB/MC) composite at temperatures of 160-300C using both experiments and modeling. The purpose of our study was to show safe hydrogen release without thermal runaway effects and to validate system model kinetics. AB/MC released hydrogen at ~20C lower than neat AB and at a rate that is two times faster. Based on the experimental results, the kinetics equations were revised to better represent the growth and nucleation process during decomposition of AB. We explored two different reactor concepts; Auger and fixed bed. The current Auger reactor concept turned out to not be appropriate, however, we demonstrated safe self-propagation of the hydrogen release reaction of solid AB/MC in a fixed bed reactor.

  12. Chemical Sciences Capabilities

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Modeling and Simulation in the Chemical Sciences Capabilities Modeling and simulation help us transform chemical data into meaningful information: * Develop remote-sensors that detect nuclear materials * Perform large- or small-scaled process modeling * Simulate new chemicals with tailored properties for diverse applications * Analyze chemical reaction rates for complex modeling needs * Examine chemical-sciences data and modeling for nuclear forensics * Analyze high explosive data and perform

  13. Coupled molecular dynamics-Monte Carlo model to study the role of chemical processes during laser ablation of polymeric materials

    SciTech Connect (OSTI)

    Prasad, Manish; Conforti, Patrick F.; Garrison, Barbara J.

    2007-08-28

    The coarse grained chemical reaction model is enhanced to build a molecular dynamics (MD) simulation framework with an embedded Monte Carlo (MC) based reaction scheme. The MC scheme utilizes predetermined reaction chemistry, energetics, and rate kinetics of materials to incorporate chemical reactions occurring in a substrate into the MD simulation. The kinetics information is utilized to set the probabilities for the types of reactions to perform based on radical survival times and reaction rates. Implementing a reaction involves changing the reactants species types which alters their interaction potentials and thus produces the required energy change. We discuss the application of this method to study the initiation of ultraviolet laser ablation in poly(methyl methacrylate). The use of this scheme enables the modeling of all possible photoexcitation pathways in the polymer. It also permits a direct study of the role of thermal, mechanical, and chemical processes that can set off ablation. We demonstrate that the role of laser induced heating, thermomechanical stresses, pressure wave formation and relaxation, and thermochemical decomposition of the polymer substrate can be investigated directly by suitably choosing the potential energy and chemical reaction energy landscape. The results highlight the usefulness of such a modeling approach by showing that various processes in polymer ablation are intricately linked leading to the transformation of the substrate and its ejection. The method, in principle, can be utilized to study systems where chemical reactions are expected to play a dominant role or interact strongly with other physical processes.

  14. Industrial Buildings

    U.S. Energy Information Administration (EIA) Indexed Site

    Industrial Industrial Manufacturing Buildings Industrialmanufacturing buildings are not considered commercial, but are covered by the Manufacturing Energy Consumption Survey...

  15. Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the Cement Sector

    SciTech Connect (OSTI)

    Sathaye, J.; Xu, T.; Galitsky, C.

    2010-08-15

    Adoption of efficient end-use technologies is one of the key measures for reducing greenhouse gas (GHG) emissions. How to effectively analyze and manage the costs associated with GHG reductions becomes extremely important for the industry and policy makers around the world. Energy-climate (EC) models are often used for analyzing the costs of reducing GHG emissions for various emission-reduction measures, because an accurate estimation of these costs is critical for identifying and choosing optimal emission reduction measures, and for developing related policy options to accelerate market adoption and technology implementation. However, accuracies of assessing of GHG-emission reduction costs by taking into account the adoption of energy efficiency technologies will depend on how well these end-use technologies are represented in integrated assessment models (IAM) and other energy-climate models.

  16. Fluid sampling and chemical modeling of geopressured brines containing methane. Final report, March 1980-February 1981

    SciTech Connect (OSTI)

    Dudak, B.; Galbraith, R.; Hansen, L.; Sverjensky, D.; Weres, O.

    1982-07-01

    The development of a flowthrough sampler capable of obtaining fluid samples from geopressured wells at temperatures up to 400/sup 0/F and pressures up to 20,000 psi is described. The sampler has been designed, fabricated from MP35N alloy, laboratory tested, and used to obtain fluid samples from a geothermal well at The Geysers, California. However, it has not yet been used in a geopressured well. The design features, test results, and operation of this device are described. Alternative sampler designs are also discussed. Another activity was to review the chemistry and geochemistry of geopressured brines and reservoirs, and to evaluate the utility of available computer codes for modeling the chemistry of geopressured brines. The thermodynamic data bases for such codes are usually the limiting factor in their application to geopressured systems, but it was concluded that existing codes can be updated with reasonable effort and can usefully explain and predict the chemical characteristics of geopressured systems, given suitable input data.

  17. Unifying Chemical and Physical Principles for Oxide Superconductivity Based on an Anionic Charge Order Model

    SciTech Connect (OSTI)

    Oesterreicher, H.

    2001-05-01

    Subperoxidic O{sub 2}{sup 3-} charge ordering presents a satisfying basis for a quantitative, conceptually realistic, and unifying understanding of cuprate superconductors. The activity of O{sup -} manifests itself in a variety of ways including a universal T{sub c} scaling with O{sup -} per total O, or more generally, in the subperoxide radical concentration. Also, a characteristic crystal chemistry of O{sup -} placement is indicated. As an example, trends to preferential O{sup -} occupation of the apical sites are correlated with c axis and T{sub c} decreases providing a new crystallographic interpretation of the overdoping question. Generally, subperoxides can be created on overoxidation or through various modes of self doping through lattice pressure-related factors. Accordingly, the role of peranion formation is seen as a most general chemical principle for ameliorating stacking mismatch through electronic liquefaction under internal stress . Cases are discussed (e.g., YBa{sub 2}Cu{sub 3}O{sub 6.5}) where the tension on cooling can result in stratified self-doping steps. A variety of experiments indicating charge order properties, such as stripes and slow charge propagation, are interpreted on the anionic model. Subperoxidic pair formation and charge ordering energetics are discussed. Concepts are further generalized for other cases (e.g., carbides or nitrides) of anionic metallicity and superconductivity. Common aspects are mobile, paired charge orders of radicals coupled through bond polarizations.

  18. Introduction to IEEE 841-1994, IEEE standard for petroleum and chemical industry: Severe duty totally enclosed fan-cooled (TEFC) squirrel cage induction motors -- up to and including 500 hp

    SciTech Connect (OSTI)

    Doughty, R.L.

    1995-12-31

    IEEE 841, Recommended Practice for Chemical Industry Severe Duty Squirrel-Cage Induction Motors--600 V and Below, first issued in 1986, has been significantly revised and reissued as a Standard. The scope has been increased to include severe duty TEFC squirrel-cage induction motors with antifriction bearings in sizes up to and including 500 horsepower. Motor rated voltages of 2,300 V and 4,000 V have been added. Changes to the standard are reviewed in detail. Requirements are identified that improve motor reliability and increase motor life.

  19. DOE/DHS INDUSTRIAL CONTROL SYSTEM CYBER SECURITY PROGRAMS: A MODEL FOR USE IN NUCLEAR FACILITY SAFEGUARDS AND SECURITY

    SciTech Connect (OSTI)

    Robert S. Anderson; Mark Schanfein; Trond Bjornard; Paul Moskowitz

    2011-07-01

    Many critical infrastructure sectors have been investigating cyber security issues for several years especially with the help of two primary government programs. The U.S. Department of Energy (DOE) National SCADA Test Bed and the U.S. Department of Homeland Security (DHS) Control Systems Security Program have both implemented activities aimed at securing the industrial control systems that operate the North American electric grid along with several other critical infrastructure sectors (ICS). These programs have spent the last seven years working with industry including asset owners, educational institutions, standards and regulating bodies, and control system vendors. The programs common mission is to provide outreach, identification of cyber vulnerabilities to ICS and mitigation strategies to enhance security postures. The success of these programs indicates that a similar approach can be successfully translated into other sectors including nuclear operations, safeguards, and security. The industry regulating bodies have included cyber security requirements and in some cases, have incorporated sets of standards with penalties for non-compliance such as the North American Electric Reliability Corporation Critical Infrastructure Protection standards. These DOE and DHS programs that address security improvements by both suppliers and end users provide an excellent model for nuclear facility personnel concerned with safeguards and security cyber vulnerabilities and countermeasures. It is not a stretch to imagine complete surreptitious collapse of protection against the removal of nuclear material or even initiation of a criticality event as witnessed at Three Mile Island or Chernobyl in a nuclear ICS inadequately protected against the cyber threat.

  20. Mitsui Chemicals Inc | Open Energy Information

    Open Energy Info (EERE)

    Inc Jump to: navigation, search Name: Mitsui Chemicals Inc Place: Tokyo, Tokyo, Japan Zip: 105-7117 Sector: Solar Product: Chemicals maker including plastics, industrial...

  1. ITP Chemicals: Final Report: Evaluation of Alternative Technologies...

    Broader source: Energy.gov (indexed) [DOE]

    More Documents & Publications ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process Inefficiencies in the U.S. Chemical Industry, ...

  2. RCRA Subtitle C TSD facilities and solvent recovery facilities: Section 313 of the Emergency Planning and Community Right-to-Know Act. Toxic chemical release inventory; Industry guidance

    SciTech Connect (OSTI)

    1999-01-01

    The purpose of this guidance document is to assist facilities in SIC code 4953 that are regulated under the Resource Conservation and Recovery Act (RCRA), Subtitle C and facilities in SIC code 7389 that are primarily engaged in solvent recovery services on a contract or fee basis. This document explains the EPCRA Section 313 and PPA Section 6607 reporting requirements (collectively referred to as the EPCRA Section 313) reporting requirements, and discusses specific release and other waste management activities encountered at many facilities in these industries. The objectives of this manual are to: clarify EPCRA Section 313 requirements for industry; increase the accuracy and completeness of the data being reported by RCRA Subtitle C TSD and solvent recovery facilities; and reduce the level of effort expended by those facilities that prepare an EPCRA Section 313 report.

  3. Finite size effects in the presence of a chemical potential: A study in the classical nonlinear O(2) sigma model

    SciTech Connect (OSTI)

    Banerjee, Debasish; Chandrasekharan, Shailesh

    2010-06-15

    In the presence of a chemical potential, the physics of level crossings leads to singularities at zero temperature, even when the spatial volume is finite. These singularities are smoothed out at a finite temperature but leave behind nontrivial finite size effects which must be understood in order to extract thermodynamic quantities using Monte Carlo methods, particularly close to critical points. We illustrate some of these issues using the classical nonlinear O(2) sigma model with a coupling {beta} and chemical potential {mu} on a 2+1-dimensional Euclidean lattice. In the conventional formulation this model suffers from a sign problem at nonzero chemical potential and hence cannot be studied with the Wolff cluster algorithm. However, when formulated in terms of the worldline of particles, the sign problem is absent, and the model can be studied efficiently with the 'worm algorithm'. Using this method we study the finite size effects that arise due to the chemical potential and develop an effective quantum mechanical approach to capture the effects. As a side result we obtain energy levels of up to four particles as a function of the box size and uncover a part of the phase diagram in the ({beta},{mu}) plane.

  4. Computational fluid dynamics modeling of chemical looping combustion process with calcium sulphate oxygen carrier - article no. A19

    SciTech Connect (OSTI)

    Baosheng Jin; Rui Xiao; Zhongyi Deng; Qilei Song

    2009-07-01

    To concentrate CO{sub 2} in combustion processes by efficient and energy-saving ways is a first and very important step for its sequestration. Chemical looping combustion (CLC) could easily achieve this goal. A chemical-looping combustion system consists of a fuel reactor and an air reactor. Two reactors in the form of interconnected fluidized beds are used in the process: (1) a fuel reactor where the oxygen carrier is reduced by reaction with the fuel, and (2) an air reactor where the reduced oxygen carrier from the fuel reactor is oxidized with air. The outlet gas from the fuel reactor consists of CO{sub 2} and H{sub 2}O, while the outlet gas stream from the air reactor contains only N{sub 2} and some unused O{sub 2}. The water in combustion products can be easily removed by condensation and pure carbon dioxide is obtained without any loss of energy for separation. Until now, there is little literature about mathematical modeling of chemical-looping combustion using the computational fluid dynamics (CFD) approach. In this work, the reaction kinetic model of the fuel reactor (CaSO{sub 4}+ H{sub 2}) is developed by means of the commercial code FLUENT and the effects of partial pressure of H{sub 2} (concentration of H{sub 2}) on chemical looping combustion performance are also studied. The results show that the concentration of H{sub 2} could enhance the CLC performance.

  5. BETR-world: A geographically explicit model of chemical fate: Application to transport of a-HCH to the arctic

    SciTech Connect (OSTI)

    Toose, Liisa; Woodfine, David G.; MacLeod, Matthew; Mackay, Don; Gouin, Jenn

    2003-12-01

    The Berkeley Trent (BETR)-World model, a 25 compartment, geographically explicit fugacity-based model is described and applied to evaluate the transport of chemicals from temperate source regions to receptor regions (such as the Arctic). The model was parameterized using GIS and an array of digital data on weather, oceans, freshwater, vegetation and geo-political boundaries. This version of the BETR model framework includes modification of atmospheric degradation rates by seasonally variable hydroxyl radical concentrations and temperature. Degradation rates in all other compartments vary with seasonally changing temperature. Deposition to the deep ocean has been included as a loss mechanism. A case study was undertaken for a-HCH. Dynamic emission scenarios were estimated for each of the 25 regions. Predicted environmental concentrations showed good agreement with measured values for the northern regions in air , and fresh and oceanic water and with the results from a previous model of global chemical fate. Potential for long-range transport and deposition to the Arctic region was assessed using a Transfer Efficiency combined with estimated emissions. European regions and the Orient including China have a high potential to contribute a-HCH contamination in the Arctic due to high rates of emission in these regions despite low Transfer Efficiencies. Sensitivity analyses reveal that the performance and reliability of the model is strongly in sequenced by parameters controlling degradation rates.

  6. A reaction-based paradigm to model reactive chemical transport in groundwater with general kinetic and equilibrium reactions

    SciTech Connect (OSTI)

    Zhang, Fan; Yeh, Gour-Tsyh; Parker, Jack C; Brooks, Scott C; Pace, Molly; Kim, Young Jin; Jardine, Philip M; Watson, David B

    2007-01-01

    This paper presents a reaction-based water quality transport model in subsurface flow systems. Transport of chemical species with a variety of chemical and physical processes is mathematically described by M partial differential equations (PDEs). Decomposition via Gauss-Jordan column reduction of the reaction network transforms M species reactive transport equations into two sets of equations: a set of thermodynamic equilibrium equations representing NE equilibrium reactions and a set of reactive transport equations of M-NE kinetic-variables involving no equilibrium reactions (a kinetic-variable is a linear combination of species). The elimination of equilibrium reactions from reactive transport equations allows robust and efficient numerical integration. The model solves the PDEs of kinetic-variables rather than individual chemical species, which reduces the number of reactive transport equations and simplifies the reaction terms in the equations. A variety of numerical methods are investigated for solving the coupled transport and reaction equations. Simulation comparisons with exact solutions were performed to verify numerical accuracy and assess the effectiveness of various numerical strategies to deal with different application circumstances. Two validation examples involving simulations of uranium transport in soil columns are presented to evaluate the ability of the model to simulate reactive transport with complex reaction networks involving both kinetic and equilibrium reactions.

  7. Report on DOE - industry workshop on Computer-Aided Catalyst Design (CACD)

    SciTech Connect (OSTI)

    Hay, P.J.

    1994-07-01

    Representatives from industry, national laboratories, and the DOE met to review the status of the DOE-sponsored Computer-Aided Catalyst Design (CACD) program and to assess current industrial needs in CACD. Of the 40 participants at the workshop, nearly half were from industry representing 12 companies--Arco Chemical, Amoco Chemical, Biosym, Dow, DuPont, Exxon, Ford, General Motors, Mobil, Monsanto, W.R. Grace and Union Carbide--that included nine of the largest chemical producers in the U.S. representing $61 billion in chemical sales in 1993. An overview of developments in catalyst modeling at the national laboratories was presented, and current CACD-related activities at each of the companies were described by the industrial participants. The CACD program is addressing important industry needs and is having a significant impact despite the current limited scope and budget. The industrial participants urged the program to continue to target specific areas and to encourage collaborative work among the national labs. Industrial participants expressed strong interest in increased interactions with CACD activities at the national labs, where competencies in theory, modeling, and simulation complement the traditional strengths of catalysis expertise in industry. The chemical, refining and automotive industries face continual economic and environmental pressures for now or improved catalytic processes that are more efficient and produce fewer undesirable byproducts. CACD is viewed as an effective means to enhance experimental catalysis research. The industrial participants attested to the importance of developing and applying catalysis modeling capabilities. The companies represented at the meeting had varying degrees of activity in this area, and many already had significant interactions with national labs. As potential users of this technology, they strongly endorsed the work in the CACD program in the development of modeling capabilities.

  8. Hydrodynamic modeling for corrosion control in the oil and gas industry

    SciTech Connect (OSTI)

    Palacios, C.A.; Morales, J.L.

    1995-10-01

    This article describes a methodology used to select and establish corrosion control programs. These include corrosion rate predictions using well known correlations for flowing systems, materials selection, optimization of inhibitors and corrosion monitoring techniques. The methodology characterizes internal corrosion phenomenon integrating the hydrodynamic conditions of the flow (flow velocities, flow pattern, liquid holdups, and where the condensation is taking place within a pipeline) with those that predict corrosion rates. It can be applied in the whole oil/gas production system, including subsurface and surface equipment. The methodology uses single and two phase flow modeling techniques to: (1) optimize the entire production system to obtain the most efficient objective flow rate, taking into consideration the corrosive/erosive nature of the produced fluids and (2) characterize the corrosion nature of oil and gas transmission lines. As an example of its use, a characterization of corrosion nature of a gas transmission line is described. The hydrodynamic simulation was performed using commercially available simulators, and the corrosion rates were determined using published correlations. Results using this methodology allowed for corrosion control strategies, protection and monitoring criteria, and inhibition optimization.

  9. Risk and Vulnerability Assessment Using Cybernomic Computational Models: Tailored for Industrial Control Systems

    SciTech Connect (OSTI)

    Abercrombie, Robert K; Sheldon, Federick T.; Schlicher, Bob G

    2015-01-01

    There are many influencing economic factors to weigh from the defender-practitioner stakeholder point-of-view that involve cost combined with development/deployment models. Some examples include the cost of countermeasures themselves, the cost of training and the cost of maintenance. Meanwhile, we must better anticipate the total cost from a compromise. The return on investment in countermeasures is essentially impact costs (i.e., the costs from violating availability, integrity and confidentiality / privacy requirements). The natural question arises about choosing the main risks that must be mitigated/controlled and monitored in deciding where to focus security investments. To answer this question, we have investigated the cost/benefits to the attacker/defender to better estimate risk exposure. In doing so, it s important to develop a sound basis for estimating the factors that derive risk exposure, such as likelihood that a threat will emerge and whether it will be thwarted. This impact assessment framework can provide key information for ranking cybersecurity threats and managing risk.

  10. Industrial Users

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industrial Users The facility has been used for more than a decade by a virtual Who's Who of the semiconductor industry to simulate the potential failures posed by cosmic-ray-induced neutrons upon miniature electronic devices, such as chips that help control aircraft or complex integrated circuits in automobiles. Industrial User Information The Neutron and Nuclear Science (WNR) Facility welcomes proposals for beam time experiments from industry users. Proprietary and non-proprietary industrial

  11. Chemicals from biomass: an assessment of the potential for production of chemical feedstocks from renewable resources

    SciTech Connect (OSTI)

    Donaldson, T.L.; Culberson, O.L.

    1983-06-01

    This assessment of the potential for production of commodity chemicals from renewable biomass resources is based on (1) a Delphi study with 50 recognized authorities to identify key technical issues relevant to production of chemicals from biomass, and (2) a systems model based on linear programming for a commodity chemicals industry using renewable resources and coal as well as gas and petroleum-derived resources. Results from both parts of the assessment indicate that, in the absence of gas and petroleum, coal undoubtedly would be a major source of chemicals first, followed by biomass. The most attractive biomass resources are wood, agricultural residues, and sugar and starch crops. A reasonable approximation to the current product slate for the petrochemical industry could be manufactured using only renewable resources for feedstocks. Approximately 2.5 quads (10/sup 15/ Btu (1.055 x 10/sup 18/ joules)) per year of oil and gas would be released. Further use of biomass fuels in the industry could release up to an additional 1.5 quads. however, such an industry would be unprofitable under current economic conditions with existing or near-commercial technology. As fossil resources become more expensive and biotechnology becomes more efficient, the economics will be more favorable. Use of the chemicals industry model to evaluate process technologies is demonstrated. Processes are identified which have potential for significant added value to the system if process improvements can be made to improve the economics. Guidelines and recommendations for research and development programs to improve the attractiveness of chemicals from biomass are discussed.

  12. Dynamic Modeling of Learning in Emerging Energy Industries: The Example of Advanced Biofuels in the United States; NREL (National Renewable Energy Laboratory)

    SciTech Connect (OSTI)

    Peterson, Steve; Bush, Brian; Vimmerstedt, Laura

    2015-07-19

    This paper (and its supplemental model) presents novel approaches to modeling interactions and related policies among investment, production, and learning in an emerging competitive industry. New biomass-to-biofuels pathways are being developed and commercialized to support goals for U.S. advanced biofuel use, such as those in the Energy Independence and Security Act of 2007. We explore the impact of learning rates and techno-economics in a learning model excerpted from the Biomass Scenario Model (BSM), developed by the U.S. Department of Energy and the National Renewable Energy Laboratory to explore the impact of biofuel policy on the evolution of the biofuels industry. The BSM integrates investment, production, and learning among competing biofuel conversion options that are at different stages of industrial development. We explain the novel methods used to simulate the impact of differing assumptions about mature industry techno-economics and about learning rates while accounting for the different maturity levels of various conversion pathways. A sensitivity study shows that the parameters studied (fixed capital investment, process yield, progress ratios, and pre-commercial investment) exhibit highly interactive effects, and the system, as modeled, tends toward market dominance of a single pathway due to competition and learning dynamics.

  13. Industry Information Practices and the Failure to Remember

    Office of Environmental Management (EM)

    Information Resources » Industries & Technologies Industries & Technologies The Advanced Manufacturing Office (AMO) emphasizes innovative technologies to increase manufacturing agility and open new markets. AMO also maintains a range of projects, analyses, protocols, and strategies to reduce industrial energy intensity and carbon emissions in specific industries and technology areas: Industries Aluminum Chemicals Forest Products Glass Metal Casting Mining Other Industries Petroleum

  14. Chemical Supply Chain Analysis | NISAC

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NISACCapabilitiesChemical Supply Chain Analysis content top Chemical Supply Chain Analysis NISAC has developed a range of capabilities for analyzing the consequences of disruptions to the chemical manufacturing industry. Each capability provides a different but complementary perspective on the questions of interest-questions like Given an event, will the entire chemical sector be impacted or just parts? Which chemicals, plants, and complexes could be impacted? In which regions of the country?

  15. Cathay Industrial Biotech Ltd | Open Energy Information

    Open Energy Info (EERE)

    and supplier of chemicals, fuels and polymers that is exploring biobutanol research and production. References: Cathay Industrial Biotech Ltd1 This article is a stub. You can...

  16. Predicting chemically-induced skin reactions. Part I: QSAR models of skin sensitization and their application to identify potentially hazardous compounds

    SciTech Connect (OSTI)

    Alves, Vinicius M.; Muratov, Eugene; Fourches, Denis; Strickland, Judy; Kleinstreuer, Nicole; Tropsha, Alexander

    2015-04-15

    Repetitive exposure to a chemical agent can induce an immune reaction in inherently susceptible individuals that leads to skin sensitization. Although many chemicals have been reported as skin sensitizers, there have been very few rigorously validated QSAR models with defined applicability domains (AD) that were developed using a large group of chemically diverse compounds. In this study, we have aimed to compile, curate, and integrate the largest publicly available dataset related to chemically-induced skin sensitization, use this data to generate rigorously validated and QSAR models for skin sensitization, and employ these models as a virtual screening tool for identifying putative sensitizers among environmental chemicals. We followed best practices for model building and validation implemented with our predictive QSAR workflow using Random Forest modeling technique in combination with SiRMS and Dragon descriptors. The Correct Classification Rate (CCR) for QSAR models discriminating sensitizers from non-sensitizers was 71–88% when evaluated on several external validation sets, within a broad AD, with positive (for sensitizers) and negative (for non-sensitizers) predicted rates of 85% and 79% respectively. When compared to the skin sensitization module included in the OECD QSAR Toolbox as well as to the skin sensitization model in publicly available VEGA software, our models showed a significantly higher prediction accuracy for the same sets of external compounds as evaluated by Positive Predicted Rate, Negative Predicted Rate, and CCR. These models were applied to identify putative chemical hazards in the Scorecard database of possible skin or sense organ toxicants as primary candidates for experimental validation. - Highlights: • It was compiled the largest publicly-available skin sensitization dataset. • Predictive QSAR models were developed for skin sensitization. • Developed models have higher prediction accuracy than OECD QSAR Toolbox. • Putative

  17. Modeling plant-level industrial energy demand with the Manufacturing Energy Consumption Survey (MECS) database and the Longitudinal Research Database (LRD)

    SciTech Connect (OSTI)

    Boyd, G.A.; Neifer, M.J.; Ross, M.H.

    1992-08-01

    This report discusses Phase 1 of a project to help the US Department of Energy determine the applicability of the Manufacturing Energy Consumption Survey (MECS) database and the Longitudinal Research Database (LRD) for industrial modeling and analysis. Research was conducted at the US Bureau of the Census; disclosure of the MECS/LRD data used as a basis for this report was subject to the Bureau`s confidentiality restriction. The project is designed to examine the plant-level energy behavior of energy-intensive industries. In Phase 1, six industries at the four-digit standard industrial classification (SIC) level were studied. The utility of analyzing four-digit SIC samples at the plant level is mixed, but the plant-level structure of the MECS/LRD makes analyzing samples disaggregated below the four-digit level feasible, particularly when the MECS/LRD data are combined with trade association or other external data. When external data are used, the validity of using value of shipments as a measure of output for analyzing energy use can also be examined. Phase 1 results indicate that technical efficiency and the distribution of energy intensities vary significantly at the plant level. They also show that the six industries exhibit monopsony-like behavior; that is, energy prices vary significantly at the plant level, with lower prices being correlated with a higher level of energy consumption. Finally, they show to what degree selected energy-intensive products are manufactured outside their primary industry.

  18. Fundamentals of fluidized bed chemical processes

    SciTech Connect (OSTI)

    Yates, J.G.

    1983-01-01

    Chemical processes based on the use of fluidized solids, although widely used on an industrial scale for some four decades, are currently increasing in importance as industry looks for improved methods for handling and reacting solid materials. This book provides background necessary for an understanding of the technique of gas-solid fluidization. Contents: Some Fundamental Aspects of Fluidization-General Features of Gas-Solid Fluidization; Minimum Fluidization Velocity; Inter-particle forces; Liquid-Solid Fluidization; Bubbles; Slugging; Entrainment and Elutriation; Particle Movement; Bed Viscosity; Fluidization Under Pressure. Fluidized-Bed Reactor Models-ome Individual Models; Model Comparisons; Multiple Region Models. Catalytic Cracking-Process Developments Riser Cracking; Catalysis; Process Chemistry; Kinetics; Process Models. Combustion and Gasification-Plant Developments; Oil and Gas Combustion; Desulphurization; No/sub x/ Emissions; Coal Gassification. Miscellaneous Processes-Phthalic Anhydride (1,3-isobezofurandione); Acrylonitrile (prop-3-enenitrile); Vinyl Chloride (chloroethene); Titanium Dioxide; Uranium Processing; Sulphide Roasting; Indexes.

  19. Detailed chemical kinetic models for large n-alkanes and iso-alkanes found in conventional and F-T diesel fuels

    SciTech Connect (OSTI)

    Westbrook, C K; Pitz, W J; Mehl, M; Curran, H J

    2009-03-09

    n-Hexadecane and 2,2,4,4,6,8,8-heptamethylnonane represent the primary reference fuels for diesel that are used to determine cetane number, a measure of the ignition property of diesel fuel. With the development of chemical kinetics models for both primary reference fuels, a new capability is now available to model diesel fuel ignition. Additionally, we have developed chemical kinetic models for a whole series of large n-alkanes and a large iso-alkane to represent these chemical classes in fuel surrogates for conventional and future fuels. These chemical kinetic models are used to predict the effect of the aforementioned fuel components on ignition characteristics under conditions found in internal combustion engines.

  20. Steam System Opportunity Assessment for the Pulp and Paper, Chemical...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Manufacturing, and Petroleum Refining Industries Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries This ...

  1. Industrial Hygiene | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hygiene Ames Laboratory's Industrial Hygiene (IH) Program is dedicated to providing employees a workplace free from or protected against recognized hazards that could potentially cause illness or injury. The basic principles of industrial hygiene are applied: Anticipation, recognition, evaluation and control of workplace hazards. The industrial hygienist participates on Readiness Review committees to assist in anticipation and recognition of chemical, physical, biological, or ergonomic hazards.

  2. A Chemical Kinetic Modeling Study of the Effects of Oxygenated Hydrocarbons on Soot Emissions from Diesel Engines

    SciTech Connect (OSTI)

    Westbrook, C K; Pitz, W J; Curran, H J

    2005-11-14

    A detailed chemical kinetic modeling approach is used to examine the phenomenon of suppression of sooting in diesel engines by addition of oxygenated hydrocarbon species to the fuel. This suppression, which has been observed experimentally for a few years, is explained kinetically as a reduction in concentrations of soot precursors present in the hot products of a fuel-rich diesel ignition zone when oxygenates are included. Oxygenates decrease the overall equivalence ratio of the igniting mixture, producing higher ignition temperatures and more radical species to consume more soot precursor species, leading to lower soot production. The kinetic model is also used to show how different oxygenates, ester structures in particular, can have different soot-suppression efficiencies due to differences in molecular structure of the oxygenated species.

  3. Hybrid pathwise sensitivity methods for discrete stochastic models of chemical reaction systems

    SciTech Connect (OSTI)

    Wolf, Elizabeth Skubak; Anderson, David F.

    2015-01-21

    Stochastic models are often used to help understand the behavior of intracellular biochemical processes. The most common such models are continuous time Markov chains (CTMCs). Parametric sensitivities, which are derivatives of expectations of model output quantities with respect to model parameters, are useful in this setting for a variety of applications. In this paper, we introduce a class of hybrid pathwise differentiation methods for the numerical estimation of parametric sensitivities. The new hybrid methods combine elements from the three main classes of procedures for sensitivity estimation and have a number of desirable qualities. First, the new methods are unbiased for a broad class of problems. Second, the methods are applicable to nearly any physically relevant biochemical CTMC model. Third, and as we demonstrate on several numerical examples, the new methods are quite efficient, particularly if one wishes to estimate the full gradient of parametric sensitivities. The methods are rather intuitive and utilize the multilevel Monte Carlo philosophy of splitting an expectation into separate parts and handling each in an efficient manner.

  4. Simplified models of growth, defect formation, and thermal conductivity in diamond chemical vapor deposition

    SciTech Connect (OSTI)

    Coltrin, M.E.; Dandy, D.S.

    1996-04-01

    A simplified surface reaction mechanism is presented for the CVD of diamond thin films. The mechanism also accounts for formation of point defects in the diamond lattice, an alternate, undesirable reaction pathway. Both methyl radicals and atomic C are considered as growth precursors. While not rigorous in all details, the mechanism is useful in describing the CVD diamond process over a wide range of reaction conditions. It should find utility in reactor modeling studies, for example in optimizing diamond growth rate while minimizing defect formation. This report also presents a simple model relating the diamond point-defect density to the thermal conductivity of the material.

  5. Modeling

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Though adequate for modeling mean transport, this approach does not address ... Microphysics such as diffusive transport and chemical kinetics are represented by ...

  6. Chemical Engineering

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ... SunShot Grand Challenge: Regional Test Centers Chemical Engineering HomeTag:Chemical ...

  7. Development of Advanced Thermal-Hydrological-Mechanical-Chemical (THMC) Modeling Capabilities for Enhanced Geothermal Systems

    Broader source: Energy.gov [DOE]

    Project objectives: Develop a general framework for effective flow of water, steam and heat in in porous and fractured geothermal formations. Develop a computational module for handling coupled effects of pressure, temperature, and induced rock deformations. Develop a reliable model of heat transfer and fluid flow in fractured rocks.

  8. DETAILED CHEMICAL KINETIC MODELING OF ISO-OCTANE SI-HCCI TRANSITION

    SciTech Connect (OSTI)

    Havstad, M A; Aceves, S M; McNenly, M J; Piggott, W T; Edwards, K D; Wagner, R M; Daw, C S; Finney, C A

    2009-10-12

    The authors describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (ST) combustion to homogeneous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study they assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scneario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. They find that the model captures many of the important experimental trends, including stable SI combustion at low EGR ({approx} 0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR ({approx} 0.75). Remaining differences between the predicted and experimental instability patterns indicate that there is further room for model improvement.

  9. Detailed Chemical Kinetic Modeling of Iso-octane SI-HCCI Transition

    SciTech Connect (OSTI)

    Havstad, Mark A; Aceves, Salvador M; McNenly, Matthew J; Piggott, William T; Edwards, Kevin Dean; Wagner, Robert M; Daw, C Stuart; FINNEY, Charles E A

    2010-01-01

    We describe a CHEMKIN-based multi-zone model that simulates the expected combustion variations in a single-cylinder engine fueled with iso-octane as the engine transitions from spark-ignited (SI) combustion to homogenous charge compression ignition (HCCI) combustion. The model includes a 63-species reaction mechanism and mass and energy balances for the cylinder and the exhaust flow. For this study we assumed that the SI-to-HCCI transition is implemented by means of increasing the internal exhaust gas recirculation (EGR) at constant engine speed. This transition scenario is consistent with that implemented in previously reported experimental measurements on an experimental engine equipped with variable valve actuation. We find that the model captures many of the important experimental trends, including stable SI combustion at low EGR (-0.10), a transition to highly unstable combustion at intermediate EGR, and finally stable HCCI combustion at very high EGR (-0.75). Remaining differences between the predicted and experimental instability patterns indicate that there is further room for model improvement.

  10. Industrial process surveillance system

    DOE Patents [OSTI]

    Gross, K.C.; Wegerich, S.W.; Singer, R.M.; Mott, J.E.

    1998-06-09

    A system and method are disclosed for monitoring an industrial process and/or industrial data source. The system includes generating time varying data from industrial data sources, processing the data to obtain time correlation of the data, determining the range of data, determining learned states of normal operation and using these states to generate expected values, comparing the expected values to current actual values to identify a current state of the process closest to a learned, normal state; generating a set of modeled data, and processing the modeled data to identify a data pattern and generating an alarm upon detecting a deviation from normalcy. 96 figs.

  11. Industrial Process Surveillance System

    DOE Patents [OSTI]

    Gross, Kenneth C.; Wegerich, Stephan W; Singer, Ralph M.; Mott, Jack E.

    2001-01-30

    A system and method for monitoring an industrial process and/or industrial data source. The system includes generating time varying data from industrial data sources, processing the data to obtain time correlation of the data, determining the range of data, determining learned states of normal operation and using these states to generate expected values, comparing the expected values to current actual values to identify a current state of the process closest to a learned, normal state; generating a set of modeled data, and processing the modeled data to identify a data pattern and generating an alarm upon detecting a deviation from normalcy.

  12. Industrial process surveillance system

    DOE Patents [OSTI]

    Gross, Kenneth C.; Wegerich, Stephan W.; Singer, Ralph M.; Mott, Jack E.

    1998-01-01

    A system and method for monitoring an industrial process and/or industrial data source. The system includes generating time varying data from industrial data sources, processing the data to obtain time correlation of the data, determining the range of data, determining learned states of normal operation and using these states to generate expected values, comparing the expected values to current actual values to identify a current state of the process closest to a learned, normal state; generating a set of modeled data, and processing the modeled data to identify a data pattern and generating an alarm upon detecting a deviation from normalcy.

  13. Detailed Chemical Kinetic Modeling of Surrogate Fuels for Gasoline and Application to an HCCI Engine

    SciTech Connect (OSTI)

    Naik, C V; Pitz, W J; Sj?berg, M; Dec, J E; Orme, J; Curran, H J; Simmie, J M; Westbrook, C K

    2005-01-07

    Gasoline consists of many different classes of hydrocarbons, such as paraffins, olefins, aromatics, and cycloalkanes. In this study, a surrogate gasoline reaction mechanism is developed, and it has one representative fuel constituent from each of these classes. These selected constituents are iso-octane, n-heptane, 1-pentene, toluene, and methyl-cyclohexane. The mechanism was developed in a step-wise fashion, adding submechanisms to treat each fuel component. Reactions important for low temperature oxidation (<1000K) and cross-reactions among different fuels are incorporated into the mechanism. The mechanism consists of 1214 species and 5401 reactions. A single-zone engine model is used to evaluate how well the mechanism captures autoignition behavior for conditions corresponding to homogeneous charge compression ignition (HCCI) engine operation. Experimental data are available for both how the combustion phasing changes with fueling at a constant intake temperature, and also how the intake temperature has to be changed with pressure in order to maintain combustion phasing for a fixed equivalence ratio. Three different surrogate fuel mixtures are used for the modeling. Predictions are in reasonably good agreement with the engine data. In addition, the heat release rate is calculated and compared to the data from experiments. The model predicts less low-temperature heat release than that measured. It is found that the low temperature heat-release rate depends strongly on engine speed, reactions of RO{sub 2}+HO{sub 2}, fuel composition, and pressure boost.

  14. Industrial Permit

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industrial Permit Industrial Permit The Industrial Permit authorizes the Laboratory to discharge point-source effluents under the National Pollutant Discharge Elimination System. October 15, 2012 Outfall from the Laboratory's Data Communications Center cooling towers Intermittent flow of discharged water from the Laboratory's Data Communications Center eventually reaches perennial segment of Sandia Canyon during storm events (Outfall 03A199). Contact Environmental Communication & Public

  15. Industry Economists

    U.S. Energy Information Administration (EIA) Indexed Site

    Industry Economists The U.S. Energy Information Administration (EIA) within the Department of Energy has forged a world-class information program that stresses quality, teamwork, and employee growth. In support of our program, we offer a variety of profes- sional positions, including the Industry Economist, whose work is associated with the performance of economic analyses using economic techniques. Responsibilities: Industry Economists perform or participate in one or more of the following

  16. ITP Chemicals: Industrial Feedstock Flexibility Workshop Results...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    More Documents & Publications 3323197.pdf Bioenergy Technologies Office Multi-Year Program Plan: May 2013 Update Roadmap for Bioenergy and Biobased Products in the United States

  17. ITP Chemicals: Industrial Feedstock Flexibility Workshop Results...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... biomass to prepare it as feed for processing Lack of demonstrated science Separations and direct conversion - technical ideas and new approaches, e.g., ionic liquids ...

  18. OTHER INDUSTRIES

    Broader source: Energy.gov [DOE]

    AMO funded research results in novel technologies in diverse industries beyond the most energy intensive ones within the U.S. Manufacturing sector. These technologies offer quantifiable energy...

  19. Industrial Users

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industrial Users - Media Publications and Information The Invisible Neutron Threat Neutron-Induced Failures in Semiconductor Devices Nuclear Science Research at the LANSCE-WNR...

  20. Detailed chemical kinetic models for large n-alkanes and iso-alkanes found in conventional and F-T diesel fuels

    SciTech Connect (OSTI)

    Westbrook, C K; Pitz, W J; Curran, H J; Mehl, M

    2008-12-15

    Detailed chemical kinetic models are needed to simulate the combustion of current and future transportation fuels. These models should represent the various chemical classes in these fuels. Conventional diesel fuels are composed of n-alkanes, iso-alkanes, cycloalkanes and aromatics (Farrell et al. 2007). For future fuels, there is a renewed interest in Fischer-Tropsch (F-T) processes which can be used to synthesize diesel and other transportation fuels from biomass, coal and natural gas. F-T diesel fuels are expected to be similar to F-T jet fuels which are commonly comprised of iso-alkanes with some n-alkanes (Smith and Bruno, 2008). Thus, n-alkanes and iso-alkanes are common chemical classes in these conventional and future fuels. This paper reports on the development of chemical kinetic models of large n-alkanes and iso-alkanes to represent these chemical classes in conventional and future fuels. Two large iso-alkanes are 2,2,4,4,6,8,8-heptamethylnonane, which is a primary reference fuel for diesel, and isooctane, a primary reference fuel for gasoline. Other iso-alkanes are branched alkanes with a single methyl side chain, typical of most F-T fuels. The chemical kinetic models are then used to predict the effect of these fuel components on ignition characteristics under conditions found in internal combustion engines.

  1. Reduce NOx and Improve Energy Efficiency, Software Tools for Industry, Industrial Technologies Program (ITP) (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2008-12-01

    This fact sheet describes how the Industrial Technologies Program NOx and Energy Assessment Tool (NxEAT) can help petroleum refining and chemical plants improve energy efficiency.

  2. Capturing the response of Clostridium acetobutylicum to chemical stressors using a regulated genome-scale metabolic model

    SciTech Connect (OSTI)

    Dash, Satyakam; Mueller, Thomas J.; Venkataramanan, Keerthi P.; Papoutsakis, Eleftherios T.; Maranas, Costas D.

    2014-10-14

    Clostridia are anaerobic Gram-positive Firmicutes containing broad and flexible systems for substrate utilization, which have been used successfully to produce a range of industrial compounds. Clostridium acetobutylicum has been used to produce butanol on an industrial scale through acetone-butanol-ethanol (ABE) fermentation. A genome-scale metabolic (GSM) model is a powerful tool for understanding the metabolic capacities of an organism and developing metabolic engineering strategies for strain development. The integration of stress related specific transcriptomics information with the GSM model provides opportunities for elucidating the focal points of regulation.

  3. Chemical structures of low-pressure premixed methylcyclohexane flames as benchmarks for the development of a predictive combustion chemistry model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Skeen, Scott A.; Yang, Bin; Jasper, Ahren W.; Pitz, William J.; Hansen, Nils

    2011-11-14

    The chemical compositions of three low-pressure premixed flames of methylcyclohexane (MCH) are investigated with the emphasis on the chemistry of MCH decomposition and the formation of aromatic species, including benzene and toluene. The flames are stabilized on a flat-flame (McKenna type) burner at equivalence ratios of φ = 1.0, 1.75, and 1.9 and at low pressures between 15 Torr (= 20 mbar) and 30 Torr (= 40 mbar). The complex chemistry of MCH consumption is illustrated in the experimental identification of several C7H12, C7H10, C6H12, and C6H10 isomers sampled from the flames as a function of distance from the burner.more » Three initiation steps for MCH consumption are discussed: ring-opening to heptenes and methyl-hexenes (isomerization), methyl radical loss yielding the cyclohexyl radical (dissociation), and H abstraction from MCH. Mole fraction profiles as a function of distance from the burner for the C7 species supplemented by theoretical calculations are presented, indicating that flame structures resulting in steeper temperature gradients and/or greater peak temperatures can lead to a relative increase in MCH consumption through the dissociation and isomerization channels. Trends observed among the stable C6 species as well as 1,3-pentadiene and isoprene also support this conclusion. Relatively large amounts of toluene and benzene are observed in the experiments, illustrating the importance of sequential H-abstraction steps from MCH to toluene and from cyclohexyl to benzene. Furthermore, modeled results using the detailed chemical model of Pitz et al. (Proc. Combust. Inst.2007, 31, 267–275) are also provided to illustrate the use of these data as a benchmark for the improvement or future development of a MCH mechanism.« less

  4. Comprehensive chemical kinetic modeling of the oxidation of C8 and larger n-alkanes and 2-methylalkanes

    SciTech Connect (OSTI)

    Sarathy, S M; Westbrook, C K; Pitz, W J; Mehl, M; Togbe, C; Dagaut, P; Wang, H; Oehlschlaeger, M; NIemann, U; Seshadri, K; Veloo, P S; Ji, C; Egolfopoulos, F; Lu, T

    2011-03-16

    Conventional petroleum jet and diesel fuels, as well as alternative Fischer-Tropsch (FT) fuels and hydrotreated renewable jet (HRJ) fuels, contain high molecular weight lightly branched alkanes (i.e., methylalkanes) and straight chain alkanes (n-alkanes). Improving the combustion of these fuels in practical applications requires a fundamental understanding of large hydrocarbon combustion chemistry. This research project presents a detailed and reduced chemical kinetic mechanism for singly methylated iso-alkanes (i.e., 2-methylalkanes) ranging from C{sub 8} to C{sub 20}. The mechanism also includes an updated version of our previously published C{sub 8} to C{sub 16} n-alkanes model. The complete detailed mechanism contains approximately 7,200 species 31,400 reactions. The proposed model is validated against new experimental data from a variety of fundamental combustion devices including premixed and nonpremixed flames, perfectly stirred reactors and shock tubes. This new model is used to show how the presence of a methyl branch affects important combustion properties such as laminar flame propagation, ignition, and species formation.

  5. MULTIDIMENSIONAL CHEMICAL MODELING OF YOUNG STELLAR OBJECTS. III. THE INFLUENCE OF GEOMETRY ON THE ABUNDANCE AND EXCITATION OF DIATOMIC HYDRIDES

    SciTech Connect (OSTI)

    Bruderer, S.; Benz, A. O.; Staeuber, P.; Doty, S. D.

    2010-09-10

    The Herschel Space Observatory enables observations in the far-infrared at high spectral and spatial resolution. A particular class of molecules will be directly observable: light diatomic hydrides and their ions (CH, OH, SH, NH, CH{sup +}, OH{sup +}, SH{sup +}, NH{sup +}). These simple constituents are important both for the chemical evolution of the region and as tracers of high-energy radiation. If outflows of a forming star erode cavities in the envelope, protostellar far-UV (FUV; 6 < E{sub {gamma}} < 13.6 eV) radiation may escape through such low-density regions. Depending on the shape of the cavity, the FUV radiation then irradiates the quiescent envelope in the walls along the outflow. The chemical composition in these outflow walls is altered by photoreactions and heating via FUV photons in a manner similar to photo-dominated regions. In this work, we study the effect of cavity shapes, outflow density, and of a disk with the two-dimensional chemical model of a high-mass young stellar object introduced in the second paper in this series. The model has been extended with a self-consistent calculation of the dust temperature and a multi-zone escape probability method for the calculation of the molecular excitation and the prediction of line fluxes. We find that the shape of the cavity is particularly important in the innermost part of the envelope, where the dust temperatures are high enough ({approx}>100 K) for water ice to evaporate. If the cavity shape allows FUV radiation to penetrate this hot-core region, the abundance of FUV-destroyed species (e.g., water) is decreased. On larger scales, the shape of the cavity is less important for the chemistry in the outflow wall. In particular, diatomic hydrides and their ions CH{sup +}, OH{sup +}, and NH{sup +} are enhanced by many orders of magnitude in the outflow walls due to the combination of high gas temperatures and rapid photodissociation of more saturated species. The enhancement of these diatomic hydrides

  6. Industrial Demand Module - NEMS Documentation

    Reports and Publications (EIA)

    2014-01-01

    Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Industrial Demand Module. The report catalogues and describes model assumptions, computational methodology, parameter estimation techniques, and model source code.

  7. Batteryless Chemical Detection - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    deployable chemical sensors for military, industrial, and environmental applications. ... small enough to serve in unique situations ranging from military to medical applications. ...

  8. Chemicals | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    0 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C. ace013_pitz_2010_o.pdf (1.44 MB) More Documents & Publications Chemical Kinetics Research on HCCI and Diesel Fuels Chemical Kinetic Research on HCCI & Diesel Fuels Vehicle Technologies Office Merit Review 2014: Chemical Kinetic Models for Advanced Engine Combustion

    Discusses detailed chemical kinetics mechanisms for complex hydrocarbon fuels and

  9. Industry Perspective

    Broader source: Energy.gov [DOE]

    Fuel cell and biogas industries perspectives. Presented by Mike Hicks, Fuel Cell and Hydrogen Energy Association, at the NREL/DOE Biogas and Fuel Cells Workshop held June 11-13, 2012, in Golden, Colorado.

  10. Survey and discussion of models applicable to the transport and fate thrust area of the Department of Energy Chemical and Biological Nonproliferation Program

    SciTech Connect (OSTI)

    1997-09-01

    The availability and easy production of toxic chemical and biological agents by domestic and international terrorists pose a serious threat to US national security, especially to civilian populations in and around urban areas. To address this threat, the Department of Energy (DOE) has established the Chemical and Biological Nonproliferation Program (CBNP) with the goal of focusing the DOE`s technical resources and expertise on capabilities to deny, deter, mitigate and respond to clandestine releases of chemical and biological agents. With the intent to build on DOE core competencies, the DOE has established six technology thrust areas within the CBNP Program: Biological Information Resources; Point Sensor Systems; Stand-off Detection; Transport and Fate; Decontamination; and Systems Analysis and Integration. The purpose of the Transport and Fate Thrust is to accurately predict the dispersion, concentration and ultimate fate of chemical and biological agents released into the urban and suburban environments and has two major goals: (1) to develop an integrated and validated state-of-the-art atmospheric transport and fate modeling capability for chemical and biological agent releases within the complex urban environment from the regional scale down to building and subway interiors, and (2) to apply this modeling capability in a broad range of simulation case studies of chemical and biological agent release scenarios in suburban, urban and confined (buildings and subways) environments and provide analysis for the incident response user community. Sections of this report discuss subway transport and fate models; buildings interior transport and fate modeling; models for flow and transport around buildings; and local-regional meteorology and dispersion models.

  11. Industry @ ALS

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industry @ ALS Industry @ ALS Hewlett Packard Labs Gains Insights with Innovative ALS Research Tools Print Thursday, 05 May 2016 11:21 For the past eight years, Hewlett Packard Labs, the central research organization of Hewlett Packard Enterprise, has been using cutting-edge ALS techniques to advance some of their most promising technological research, including vanadium dioxide phase transitions and atomic movement during memristor operation. Summary Slide Read more... ALS, Molecular Foundry,

  12. Chemical Science | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Chemical Science Chemical Science Plant fatty acids are used in a vast range of products, from polymers to plastics and soaps to industrial feed stocks -- making up an estimated $150 billion market annually. A new discovery of inserting double bonds in the fatty acids could show the way to the designer production of plant fatty acids, and, in turn, to new industrial applications and new products. <a href

  13. Industrial Energy Efficiency Basics | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industrial Energy Efficiency Basics Industrial Energy Efficiency Basics The industrial sector is vital to the U.S. economy, but at the same time consumes the most energy in the country to manufacture products we use every day. Among the most energy-intensive industries are aluminum, chemicals, forest product, glass, metal casting, mining, petroleum refining, and steel. The energy supply chain begins with electricity, steam, natural gas, coal, and other fuels supplied to a manufacturing plant

  14. Chemical Kinetic Modelling

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Hungary Thermodynamic data: Experimental sources 9 Slide courtesy of Prof Gyrgy Lendvay, ... REACTANTS PRODUCTS TRANSITION STATE POTENTIAL ENERGY REACTION COORDINATE WHAT IS THE BEST ...

  15. Working with SRNL - AMC - Industry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industry The dynamic, long-term relationships that would emerge from this laboratory, industry, and academic collaborative would generate new concepts and approaches that not only "spin in" modern manufacturing methods that support DOE mission success but also "spin out" new innovations to support overall chemical and manufacturing competitiveness within the United States. Technology and innovation are being driven by the need to work smarter to reduce risk. The Advanced

  16. Final Report: Development of a Chemical Model to Predict the Interactions between Supercritical CO2, Fluid and Rock in EGS Reservoirs

    SciTech Connect (OSTI)

    McPherson, Brian J.; Pan, Feng

    2014-09-24

    This report summarizes development of a coupled-process reservoir model for simulating enhanced geothermal systems (EGS) that utilize supercritical carbon dioxide as a working fluid. Specifically, the project team developed an advanced chemical kinetic model for evaluating important processes in EGS reservoirs, such as mineral precipitation and dissolution at elevated temperature and pressure, and for evaluating potential impacts on EGS surface facilities by related chemical processes. We assembled a new database for better-calibrated simulation of water/brine/ rock/CO2 interactions in EGS reservoirs. This database utilizes existing kinetic and other chemical data, and we updated those data to reflect corrections for elevated temperature and pressure conditions of EGS reservoirs.

  17. A comparative evaluation of conceptual models for the Snake River Plain aquifer at the Idaho Chemical Processing Plant, INEL

    SciTech Connect (OSTI)

    Prahl, C.J.

    1992-01-01

    Geologic and hydrologic data collected by the United States Geological Survey (USGS) are used to evaluate the existing ground water monitoring well network completed in the upper portion of the Snake River Plain aquifer (SRPA) beneath the Idaho Chemical Processing Plant (ICPP). The USGS data analyzed and compared in this study include: (a) lithologic, geophysical, and stratigraphic information, including the conceptual geologic models intrawell, ground water flow measurement (Tracejector tests) and (c) dedicated, submersible, sampling group elevations. Qualitative evaluation of these data indicate that the upper portion of the SRPA is both heterogeneous and anisotropic at the scale of the ICPP monitoring well network. Tracejector test results indicate that the hydraulic interconnection and spatial configuration of water-producing zones is extremely complex within the upper portion of the SRPA. The majority of ICPP monitoring wells currently are equipped to sample ground water only the upper lithostratigraphic intervals of the SRPA, primarily basalt flow groups E, EF, and F. Depth-specific hydrogeochemical sampling and analysis are necessary to determine if ground water quality varies significantly between the various lithostratigraphic units adjacent to individual sampling pumps.

  18. Chemical reactions of UF{sub 6} with water on ingress to damaged model 48X 10 ton cylinder

    SciTech Connect (OSTI)

    Rothman, A.B.

    1996-02-01

    Chemistry studies of the effects of water flooding in Model 48X 10-ton UF{sub 6} storage cylinders, as a result of impact fractures, were conducted to support the Safety Analysis Report for Packaging (SARP) review of the Paducah Tiger Overpack for transportation of those cylinders. The objectives of the study were to determine the maximum amount of water that could be admitted to the interior of such a damaged cylinder, the resulting geometries and chemical compositions from reactions of water with the UF{sub 6} contents of the cylinder, and the end-state water moderated and reflected configurations for input to nuclear criticality safety analyses. The case identified for analysis was the flooding of the inside of a cylinder, submerged horizontally in 3 ft of water. The flooding was driven by an initial pressure drop of 13 psig, through an assumed fracture (1/32 in. wide {times} 1/2 in. deep {times} 18 in. long) in the barrel of the cylinder. During the initial addition of water, transient back pressures occur from the effects of the heats of reaction and solution at the water/UF{sub 6} interface, with some chugging as more water is added to alternately coot the reaction surface and then heat it again as the added water reacts with more UF{sub 6}.

  19. Methyl Formate Oxidation: Speciation Data, Laminar Burning Velocities, Ignition Delay Times and a Validated Chemical Kinetic Model

    SciTech Connect (OSTI)

    Dooley, S.; Burke, M. P.; Chaos, M.; Stein, Y.; Dryer, F. L.; Zhukov, V. P.; Finch, O.; Simmie, J. M.; Curran, H. J.

    2010-07-16

    The oxidation of methyl formate (CH{sub 3}OCHO) has been studied in three experimental environments over a range of applied combustion relevant conditions: 1. A variable-pressure flow reactor has been used to quantify reactant, major intermediate and product species as a function of residence time at 3 atm and 0.5% fuel concentration for oxygen/fuel stoichiometries of 0.5, 1.0, and 1.5 at 900 K, and for pyrolysis at 975 K. 2. Shock tube ignition delays have been determined for CH{sub 3}OCHO/O{sub 2}/Ar mixtures at pressures of ? 2.7, 5.4, and 9.2 atm and temperatures of 12751935 K for mixture compositions of 0.5% fuel (at equivalence ratios of 1.0, 2.0, and 0.5) and 2.5% fuel (at an equivalence ratio of 1.0). 3. Laminar burning velocities of outwardly propagating spherical CH{sub 3}OCHO/air flames have been determined for stoichiometries ranging from 0.81.6, at atmospheric pressure using a pressure-release-type high-pressure chamber. A detailed chemical kinetic model has been constructed, validated against, and used to interpret these experimental data. The kinetic model shows that methyl formate oxidation proceeds through concerted elimination reactions, principally forming methanol and carbon monoxide as well as through bimolecular hydrogen abstraction reactions. The relative importance of elimination versus abstraction was found to depend on the particular environment. In general, methyl formate is consumed exclusively through molecular decomposition in shock tube environments, while at flow reactor and freely propagating premixed flame conditions, there is significant competition between hydrogen abstraction and concerted elimination channels. It is suspected that in diffusion flame configurations the elimination channels contribute more significantly than in premixed environments.

  20. Old and stable soil organic matter is not necessarily chemically recalcitrant: Implications for modeling concepts and temperature sensitivity

    SciTech Connect (OSTI)

    Kleber, M.; Nico, P.S.; Plante, A.; Filley, T.; Kramer, M.; Swanston, C.; Sollins, P.

    2010-03-01

    Soil carbon turnover models generally divide soil carbon into pools with varying intrinsic decomposition rates. Although these decomposition rates are modified by factors such as temperature, texture, and moisture, they are rationalized by assuming chemical structure is a primary controller of decomposition. In the current work, we use near edge X-ray absorption fine structure (NEXAFS) spectroscopy in combination with differential scanning calorimetry (DSC) and alkaline cupric oxide (CuO) oxidation to explore this assumption. Specifically, we examined material from the 2.3-2.6 kg L{sup -1} density fraction of three soils of different type (Oxisol, Alfisol, Inceptisol). The density fraction with the youngest {sup 14}C age (Oxisol, 107 years) showed the highest relative abundance of aromatic groups and the lowest O-alkyl C/aromatic C ratio as determined by NEXAFS. Conversely, the fraction with the oldest C (Inceptisol, 680 years) had the lowest relative abundance of aromatic groups and highest O-alkyl C/aromatic C ratio. This sample also had the highest proportion of thermally labile materials as measured by DSC, and the highest ratio of substituted fatty acids to lignin phenols as indicated by CuO oxidation. Therefore, the organic matter of the Inceptisol sample, with a {sup 14}C age associated with 'passive' pools of carbon (680 years), had the largest proportion of easily metabolizable organic molecules with low thermodynamic stability, whereas the organic matter of the much younger Oxisol sample (107 years) had the highest proportion of supposedly stable organic structures considered more difficult to metabolize. Our results demonstrate that C age is not necessarily related to molecular structure or thermodynamic stability, and we suggest that soil carbon models would benefit from viewing turnover rate as codetermined by the interaction between substrates, microbial actors, and abiotic driving variables. Furthermore, assuming that old carbon is composed of

  1. Commercial / Industrial Lighting

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    New Commercial Program Development Commercial Current Promotions Industrial Federal Agriculture Commercial & Industrial Lighting Efficiency Program The Commercial & Industrial...

  2. Devices for collecting chemical compounds

    DOE Patents [OSTI]

    Scott, Jill R; Groenewold, Gary S

    2013-12-24

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  3. Steam System Opportunity Assessment for the Pulp and Paper, Chemical

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Manufacturing, and Petroleum Refining Industries | Department of Energy Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries This report assesses steam generation and use in the pulp and paper, chemical manufacturing, and the petroleum refining industries. The report also estimates the energy savings potential available from

  4. Environmentally-Induced Malignancies: An In Vivo Model to Evaluate the Health Impact of Chemicals in Mixed Waste

    SciTech Connect (OSTI)

    Maria Pallavicini

    2001-05-04

    Occupational and environmental exposure to organic ligands, solvents, fuel hydrocarbons, and polychlorinated biphenyls are linked with increased risk of hematologic malignancies. DOE facilities and waste sites in the U.S. are contaminated with mixtures of potentially hazardous chemicals such as metals, organic ligands, solvents, fuel hydrocarbons, polychlorinated biphenyls and radioactive isotopes. A major goal of this project was to establish linkage between chemical/radiation exposure and induction of genomic damage in target populations with the capability to undergo transformation.

  5. World Congress on Industrial Biotechnology

    Broader source: Energy.gov [DOE]

    Held this year in Montreal, Quebec, the BIO World Congress on Industrial Biotechnology will bring together business leaders, investors, and policy makers in biofuels, biobased products, and renewable chemicals. BETO Demonstration and Market Transformation Program Manager Jim Spaeth and Support Specialist Natalie Roberts will be in attendance.

  6. Development of Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the Iron and Steel Sector

    SciTech Connect (OSTI)

    Xu, T.T.; Sathaye, J.; Galitsky, C.

    2010-09-30

    Adoption of efficient end-use technologies is one of the key measures for reducing greenhouse gas (GHG) emissions. With the working of energy programs and policies on carbon regulation, how to effectively analyze and manage the costs associated with GHG reductions become extremely important for the industry and policy makers around the world. Energy-climate (EC) models are often used for analyzing the costs of reducing GHG emissions (e.g., carbon emission) for various emission-reduction measures, because an accurate estimation of these costs is critical for identifying and choosing optimal emission reduction measures, and for developing related policy options to accelerate market adoption and technology implementation. However, accuracies of assessing of GHG-emission reduction costs by taking into account the adoption of energy efficiency technologies will depend on how well these end-use technologies are represented in integrated assessment models (IAM) and other energy-climate models. In this report, we first conduct brief overview on different representations of end-use technologies (mitigation measures) in various energy-climate models, followed by problem statements, and a description of the basic concepts of quantifying the cost of conserved energy including integrating non-regrets options. A non-regrets option is defined as a GHG reduction option that is cost effective, without considering their additional benefits related to reducing GHG emissions. Based upon these, we develop information on costs of mitigation measures and technological change. These serve as the basis for collating the data on energy savings and costs for their future use in integrated assessment models. In addition to descriptions of the iron and steel making processes, and the mitigation measures identified in this study, the report includes tabulated databases on costs of measure implementation, energy savings, carbon-emission reduction, and lifetimes. The cost curve data on mitigation

  7. Bayer ABS Ltd formerly ABS Industries Ltd | Open Energy Information

    Open Energy Info (EERE)

    (formerly ABS Industries Ltd) Place: Vadodara, Gujarat, India Zip: 335871 Sector: Wind energy Product: Bayer ABS is a plastic, chemical, and pharmaceutical company. Has...

  8. Supporting industries energy and environmental profile

    SciTech Connect (OSTI)

    None, None

    2005-09-21

    As part of its Industries of the Future strategy, the Industrial Technologies Program within the U.S. Department of Energy’s (DOE) Office of Energy Efficiency and Renewable Energy works with energy-intensive industries to improve efficiency, reduce waste, and increase productivity. These seven Industries of the Future (IOFs) – aluminum, chemicals, forest products, glass, metal casting, mining, and steel – rely on several other so-called “supporting industries” to supply materials and processes necessary to the products that the IOFs create. The supporting industries, in many cases, also provide great opportunities for realizing energy efficiency gains in IOF processes.

  9. Technology transfer in the petrochemical industry

    SciTech Connect (OSTI)

    Tanaka, M.

    1994-01-01

    The paper deals with the development of the Japanese petrochemical industry from the 1950s through the 1960s solely from the standpoint of the process of technology transplantation. The Japanese petrochemical industry in this period is interesting as it relates to technology transfer to Japan because: (1) It was an industry at the core of the heavy and chemical industries, which were an important pillar of Japan's industrial policy; (2) It was a new technical field with no past history; and (3) Unraveling of technology was successfully pursued, with the result that Japan became a petrochemical technology-exporting country in the 1960s.

  10. Macro-Industrial Working Group Meeting 2: Industrial updates and Preliminary results

    U.S. Energy Information Administration (EIA) Indexed Site

    Macro-Industrial Working Group Meeting 2: Industrial updates and Preliminary results Macro Industrial Working Group (MIWG) Industrial Team: Kelly Perl, Team Leader; Peter Gross, Susan Hicks, Paul Otis February 18, 2016 | Washington, DC Preliminary Results. Do not Disseminate. AEO2016 additions for the Industrial Demand Module (IDM) * Technology choice models complete; end of 5 year effort * Benchmarking improvements - Individual industry benchmarking of tables complete - On-going effort to

  11. Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

    2014-11-17

    Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn a-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1,6 and [Zn-Cu12](Zn,Cu)6, which explain the a-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and eachmore » cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, therefore offering a fundamental and practical method towards composition interpretations of all kinds of alloys.« less

  12. Understanding the Cu-Zn brass alloys using a short-range-order cluster model: Significance of specific compositions of industrial alloys

    SciTech Connect (OSTI)

    Hong, H. L.; Wang, Q.; Dong, C.; Liaw, Peter K.

    2014-11-17

    Metallic alloys show complex chemistries that are not yet understood so far. It has been widely accepted that behind the composition selection lies a short-range-order mechanism for solid solutions. The present paper addresses this fundamental question by examining the face-centered-cubic Cu-Zn a-brasses. A new structural approach, the cluster-plus-glue-atom model, is introduced, which suits specifically for the description of short-range-order structures in disordered systems. Two types of formulas are pointed out, [Zn-Cu12]Zn1,6 and [Zn-Cu12](Zn,Cu)6, which explain the a-brasses listed in the American Society for Testing and Materials (ASTM) specifications. In these formulas, the bracketed parts represent the 1st-neighbor cluster, and each cluster is matched with one to six 2nd-neighbor Zn atoms or with six mixed (Zn,Cu) atoms. Such a cluster-based formulism describes the 1st- and 2nd-neighbor local atomic units where the solute and solvent interactions are ideally satisfied. The Cu-Ni industrial alloys are also explained, thus proving the universality of the cluster-formula approach in understanding the alloy selections. The revelation of the composition formulas for the Cu-(Zn,Ni) industrial alloys points to the common existence of simple composition rules behind seemingly complex chemistries of industrial alloys, therefore offering a fundamental and practical method towards composition interpretations of all kinds of alloys.

  13. "Nanotechnology Enabled Advanced Industrial Heat Transfer Fluids"

    SciTech Connect (OSTI)

    Dr. Ganesh Skandan; Dr. Amit Singhal; Mr. Kenneth Eberts; Mr. Damian Sobrevilla; Prof. Jerry Shan; Stephen Tse; Toby Rossmann

    2008-06-12

    ABSTRACT Nanotechnology Enabled Advanced industrial Heat Transfer Fluids Improving the efficiency of Industrial Heat Exchangers offers a great opportunity to improve overall process efficiencies in diverse industries such as pharmaceutical, materials manufacturing and food processing. The higher efficiencies can come in part from improved heat transfer during both cooling and heating of the material being processed. Additionally, there is great interest in enhancing the performance and reducing the weight of heat exchangers used in automotives in order to increase fuel efficiency. The goal of the Phase I program was to develop nanoparticle containing heat transfer fluids (e.g., antifreeze, water, silicone and hydrocarbon-based oils) that are used in transportation and in the chemical industry for heating, cooling and recovering waste heat. Much work has been done to date at investigating the potential use of nanoparticle-enhanced thermal fluids to improve heat transfer in heat exchangers. In most cases the effect in a commercial heat transfer fluid has been marginal at best. In the Phase I work, we demonstrated that the thermal conductivity, and hence heat transfer, of a fluid containing nanoparticles can be dramatically increased when subjected to an external influence. The increase in thermal conductivity was significantly larger than what is predicted by commonly used thermal models for two-phase materials. Additionally, the surface of the nanoparticles was engineered so as to have a minimal influence on the viscosity of the fluid. As a result, a nanoparticle-laden fluid was successfully developed that can lead to enhanced heat transfer in both industrial and automotive heat exchangers

  14. Industry Perspective

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    idatech.com info@idatech.com 63065 NE 18 th Street Bend, OR 97701 541.383.3390 Industry Perspective Biogas and Fuel Cell Workshop National Renewable Energy Laboratory June 11 - 13, 2012 Mike Hicks Chairman of the Board of Directors, FCHEA Treasurer of the Board of Directors, FCS&E Engineering Manager, Technology Development & Integration, IdaTech Outline 1. Critical Factors * Fuel Purity * Fuel Cost 2. Natural Gas - The Wild Card & Competition 3. IdaTech's Experience Implementing

  15. Chemical composition analysis and product consistency tests to support enhanced Hanford waste glass models: Results for the January, March, and April 2015 LAW glasses

    SciTech Connect (OSTI)

    Fox, K. M.; Edwards, T. B.; Riley, W. T.; Best, D. R.

    2015-09-03

    In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test (PCT) results for several simulated low activity waste (LAW) glasses (designated as the January, March, and April 2015 LAW glasses) fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation regions of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions.

  16. Chemical composition analysis and product consistency tests to support Enhanced Hanford Waste Glass Models. Results for the Augusta and October 2014 LAW Glasses

    SciTech Connect (OSTI)

    Fox, K. M.; Edwards, T. B.; Best, D. R.

    2015-07-07

    In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test (PCT) results for several simulated low activity waste (LAW) glasses (designated as the August and October 2014 LAW glasses) fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation regions of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions.

  17. Chemical Recycling | Y-12 National Security Complex

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical Recycling Chemical Recycling

  18. ET Industries: Order (2012-SE-2902)

    Broader source: Energy.gov [DOE]

    DOE ordered ET Industries, Inc. to pay a $39,000 civil penalty after finding ET Industries had manufactured and distributed in commerce in the U.S. 974 units of basic model TH-1, a noncompliant showerhead.

  19. Learning in Emerging Energy Industries

    Energy Science and Technology Software Center (OSTI)

    2013-10-16

    This software is a learning model excerpted from the BSM that can be used to examine effects of different learning rates and different techno-economics on industry evolution.

  20. Chemical microsensors

    DOE Patents [OSTI]

    Li, DeQuan; Swanson, Basil I.

    1995-01-01

    An article of manufacture is provided including a substrate having an oxide surface layer and a selective thin film of a cyclodextrin derivative chemically bound upon said substrate, said film is adapted for the inclusion of a selected organic compound therewith. Such an article can be either a chemical sensor capable of detecting a resultant mass change from inclusion of the selected organic compound or a chemical separator capable of reversibly selectively separating a selected organic compound.

  1. Modeling

    SciTech Connect (OSTI)

    Loth, E.; Tryggvason, G.; Tsuji, Y.; Elghobashi, S. E.; Crowe, Clayton T.; Berlemont, A.; Reeks, M.; Simonin, O.; Frank, Th; Onishi, Yasuo; Van Wachem, B.

    2005-09-01

    Slurry flows occur in many circumstances, including chemical manufacturing processes, pipeline transfer of coal, sand, and minerals; mud flows; and disposal of dredged materials. In this section we discuss slurry flow applications related to radioactive waste management. The Hanford tank waste solids and interstitial liquids will be mixed to form a slurry so it can be pumped out for retrieval and treatment. The waste is very complex chemically and physically. The ARIEL code is used to model the chemical interactions and fluid dynamics of the waste.

  2. Industrial Plans for AEO2014

    U.S. Energy Information Administration (EIA) Indexed Site

    30, 2013 | Washington, DC WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE OR CITE AS RESULTS ARE SUBJECT TO CHANGE Industrial team plans for AEO2014 Overview -- AEO2014 * Process flow status & updates * Other model updates * Major data updates * CHP updates 2 Industrial Team Washington DC, July 30, 2013 WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE OR CITE AS RESULTS ARE SUBJECT TO CHANGE Process flow models * General: - Replace energy consumption based on

  3. Industrial Carbon Management Initiative

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Industrial Assessment Centers (IAC) Update -- July 2015 Industrial Assessment Centers (IAC) Update -- July 2015 Read the Industrial Assessment Centers (IAC) Update -- July 2015 Industrial Assessment Centers Quarterly Update, July 2015 (845.58 KB) More Documents & Publications Industrial Assessment Centers Update, Fall 2015 Industrial Assessment Centers Quarterly Update, Spring 2014 IAC Factsheet

    Industrial Assessment Centers Update, Fall 2015 Industrial Assessment Centers

  4. Industrial ecology Prosperity Game{trademark}

    SciTech Connect (OSTI)

    Beck, D.; Boyack, K.; Berman, M.

    1998-03-01

    Industrial ecology (IE) is an emerging scientific field that views industrial activities and the environment as an interactive whole. The IE approach simultaneously optimizes activities with respect to cost, performance, and environmental impact. Industrial Ecology provides a dynamic systems-based framework that enables management of human activity on a sustainable basis by: minimizing energy and materials usage; insuring acceptable quality of life for people; minimizing the ecological impact of human activity to levels that natural systems can sustain; and maintaining the economic viability of systems for industry, trade and commerce. Industrial ecology applies systems science to industrial systems, defining the system boundary to incorporate the natural world. Its overall goal is to optimize industrial activities within the constraints imposed by ecological viability, globally and locally. In this context, Industrial systems applies not just to private sector manufacturing and services but also to government operations, including provision of infrastructure. Sandia conducted its seventeenth Prosperity Game{trademark} on May 23--25, 1997, at the Hyatt Dulles Hotel in Herndon, Virginia. The primary sponsors of the event were Sandia National Laboratories and Los Alamos National Laboratory, who were interested in using the format of a Prosperity Game to address some of the issues surrounding Industrial Ecology. Honorary game sponsors were: The National Science Foundation; the Committee on Environmental Improvement, American Chemical Society; the Industrial and Engineering Chemistry Division, American Chemical Society; the US EPA--The Smart Growth Network, Office of Policy Development; and the US DOE-Center of Excellence for Sustainable Development.

  5. Chemical preconcentrator

    DOE Patents [OSTI]

    Manginell, Ronald P.; Frye-Mason, Gregory C.

    2001-01-01

    A chemical preconcentrator is disclosed with applications to chemical sensing and analysis. The preconcentrator can be formed by depositing a resistive heating element (e.g. platinum) over a membrane (e.g. silicon nitride) suspended above a substrate. A coating of a sorptive material (e.g. a microporous hydrophobic sol-gel coating or a polymer coating) is formed on the suspended membrane proximate to the heating element to selective sorb one or more chemical species of interest over a time period, thereby concentrating the chemical species in the sorptive material. Upon heating the sorptive material with the resistive heating element, the sorbed chemical species are released for detection and analysis in a relatively high concentration and over a relatively short time period. The sorptive material can be made to selectively sorb particular chemical species of interest while not substantially sorbing other chemical species not of interest. The present invention has applications for use in forming high-sensitivity, rapid-response miniaturized chemical analysis systems (e.g. a "chem lab on a chip").

  6. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1991-07-02

    Sensors responsive to small changes in the concentration of chemical species are disclosed. The sensors comprise a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment. They are operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical response. 9 figures.

  7. Chemical sensors

    DOE Patents [OSTI]

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1991-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising (a) a mechanochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, operatively coupled to (b) a transducer capable of directly converting said expansion or contraction to a measurable electrical response.

  8. Simulating flame lift-off characteristics of diesel and biodiesel fuels using detailed chemical-kinetic mechanisms and LES turbulence model.

    SciTech Connect (OSTI)

    Som, S; Longman, D. E.; Luo, Z; Plomer, M; Lu, T; Senecal, P.K.; Pomraning, E

    2012-01-01

    Combustion in direct-injection diesel engines occurs in a lifted, turbulent diffusion flame mode. Numerous studies indicate that the combustion and emissions in such engines are strongly influenced by the lifted flame characteristics, which are in turn determined by fuel and air mixing in the upstream region of the lifted flame, and consequently by the liquid breakup and spray development processes. From a numerical standpoint, these spray combustion processes depend heavily on the choice of underlying spray, combustion, and turbulence models. The present numerical study investigates the influence of different chemical kinetic mechanisms for diesel and biodiesel fuels, as well as Reynolds-averaged Navier-Stokes (RANS) and large eddy simulation (LES) turbulence models on predicting flame lift-off lengths (LOLs) and ignition delays. Specifically, two chemical kinetic mechanisms for n-heptane (NHPT) and three for biodiesel surrogates are investigated. In addition, the RNG k-{epsilon} (RANS) model is compared to the Smagorinsky based LES turbulence model. Using adaptive grid resolution, minimum grid sizes of 250 {micro}m and 125 {micro}m were obtained for the RANS and LES cases respectively. Validations of these models were performed against experimental data from Sandia National Laboratories in a constant volume combustion chamber. Ignition delay and flame lift-off validations were performed at different ambient temperature conditions. The LES model predicts lower ignition delays and qualitatively better flame structures compared to the RNG k-{epsilon} model. The use of realistic chemistry and a ternary surrogate mixture, which consists of methyl decanoate, methyl 9-decenoate, and NHPT, results in better predicted LOLs and ignition delays. For diesel fuel though, only marginal improvements are observed by using larger size mechanisms. However, these improved predictions come at a significant increase in computational cost.

  9. Thermodynamic Phase And Chemical Equilibrium At 0-110 C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

    SciTech Connect (OSTI)

    Nichols,T.T.; Taylor,D.D.

    2003-09-26

    A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems at 0-100 C within the industry-standard process simulator, ASPEN Plus. Compatibility with ASPEN Plus requires that the Pitzer model used be limited to the third virial coefficient and have the values of b and a1 as originally proposed by Pitzer. Two aqueous models for 0-110 C at atmospheric pressure were parameterized in FY03. The model for the aqueous H+-K+-Na+-Cl- system is applicable for 0-16 molal, and the HNO3-H2O for 0-20 molal. An association-based Pitzer activity coefficient model is combined with Henry's law to predict activity/osmotic coefficient and VLE. The chloride model also predicts KCl and NaCl solubility, while the nitric acid model has the unique capability of predicting extent of dissociation with an average absolute deviation of 1.43%. The association-based approach presented here extends the utility of the molality-based Pitzer model past 6 molal to predict activity/osmotic coefficients up to 16-20 molal. The association-based approach offers the additional benefits of predicting extent of dissociation and of allowing the Pitzer model to be fully utilized in commercial simulators, such as ASPEN Plus, that require accounting for association to implement Henry's law. The Pitzer models presented here provide the chemical process simulation engineer with a superior alternative to the Electrolyte NRTL model that can easily be used in ASPEN Plus.

  10. Thermodynamic Phase And Chemical Equilibrium At 0-110°C For The H+-K+-Na+-Cl--H2O System Up To 16 Molal And The HNO3-H2O System Up To 20 Molal Using An Association-Based Pitzer Model Compatible With ASPEN Plus

    SciTech Connect (OSTI)

    Todd T. Nichols; Dean D. Taylor

    2003-09-01

    A status is presented of the parameterization during FY2003 of an association-based Pitzer model to simulate chemical and phase equilibria of acid-chloride-nitrate-mercury aqueous electrolyte systems at 0-100° C within the industry-standard process simulator, ASPEN Plus. Compatibility with ASPEN Plus requires that the Pitzer model used be limited to the third virial coefficient and have the values of b and a1 as originally proposed by Pitzer. Two aqueous models for 0-110° C at atmospheric pressure were parameterized in FY03. The model for the aqueous H+-K+-Na+-Cl- system is applicable for 0-16 molal, and the HNO3-H2O for 0-20 molal. An association-based Pitzer activity coefficient model is combined with Henry.s law to predict activity/osmotic coefficient and VLE. The chloride model also predicts KCl and NaCl solubility, while the nitric acid model has the unique capability of predicting extent of dissociation with an average absolute deviation of 1.43%. The association-based approach presented here extends the utility of the molality-based Pitzer model past 6 molal to predict activity/osmotic coefficients up to 16-20 molal. The association-based approach offers the additional benefits of predicting extent of dissociation and of allowing the Pitzer model to be fully utilized in commercial simulators, such as ASPEN Plus, that require accounting for association to implement Henry’s law. The Pitzer models presented here provide the chemical process simulation engineer with a superior alternative to the Electrolyte NRTL model that can easily be used in ASPEN Plus.

  11. Comparisons of four categories of waste recycling in China's paper industry based on physical input-output life-cycle assessment model

    SciTech Connect (OSTI)

    Liang Sai; Zhang, Tianzhu; Xu Yijian

    2012-03-15

    Highlights: Black-Right-Pointing-Pointer Using crop straws and wood wastes for paper production should be promoted. Black-Right-Pointing-Pointer Bagasse and textile waste recycling should be properly limited. Black-Right-Pointing-Pointer Imports of scrap paper should be encouraged. Black-Right-Pointing-Pointer Sensitivity analysis, uncertainties and policy implications are discussed. - Abstract: Waste recycling for paper production is an important component of waste management. This study constructs a physical input-output life-cycle assessment (PIO-LCA) model. The PIO-LCA model is used to investigate environmental impacts of four categories of waste recycling in China's paper industry: crop straws, bagasse, textile wastes and scrap paper. Crop straw recycling and wood utilization for paper production have small total intensity of environmental impacts. Moreover, environmental impacts reduction of crop straw recycling and wood utilization benefits the most from technology development. Thus, using crop straws and wood (including wood wastes) for paper production should be promoted. Technology development has small effects on environmental impacts reduction of bagasse recycling, textile waste recycling and scrap paper recycling. In addition, bagasse recycling and textile waste recycling have big total intensity of environmental impacts. Thus, the development of bagasse recycling and textile waste recycling should be properly limited. Other pathways for reusing bagasse and textile wastes should be explored and evaluated. Moreover, imports of scrap paper should be encouraged to reduce large indirect impacts of scrap paper recycling on domestic environment.

  12. Chemical conversion of cisplatin and carboplatin with histidine in a model protein crystallized under sodium iodide conditions

    SciTech Connect (OSTI)

    Tanley, Simon W. M.; Helliwell, John R.

    2014-08-29

    Crystals of HEWL with cisplatin and HEWL with carboplatin grown in sodium iodide conditions both show a partial chemical transformation of cisplatin or carboplatin to a transiodoplatin (PtI{sub 2}X{sub 2}) form. The binding is only at the N{sup ?} atom of His15. A further Pt species (PtI{sub 3}X) is also seen, in both cases bound in a crevice between symmetry-related protein molecules. Cisplatin and carboplatin are platinum anticancer agents that are used to treat a variety of cancers. Previous X-ray crystallographic studies of carboplatin binding to histidine in hen egg-white lysozyme (HEWL) showed a partial chemical conversion of carboplatin to cisplatin owing to the high sodium chloride concentration used in the crystallization conditions. Also, the co-crystallization of HEWL with carboplatin in sodium bromide conditions resulted in the partial conversion of carboplatin to the transbromoplatin form, with a portion of the cyclobutanedicarboxylate (CBDC) moiety still present. The results of the co-crystallization of HEWL with cisplatin or carboplatin in sodium iodide conditions are now reported in order to determine whether the cisplatin and carboplatin converted to the iodo form, and whether this took place in a similar way to the partial conversion of carboplatin to cisplatin in NaCl conditions or to transbromoplatin in NaBr conditions as seen previously. It is reported here that a partial chemical transformation has taken place to a transplatin form for both ligands. The NaI-grown crystals belonged to the monoclinic space group P2{sub 1} with two molecules in the asymmetric unit. The chemically transformed cisplatin and carboplatin bind to both His15 residues, i.e. in each asymmetric unit. The binding is only at the N{sup ?} atom of His15. A third platinum species is also seen in both conditions bound in a crevice between symmetry-related molecules. Here, the platinum is bound to three I atoms identified based on their anomalous difference electron densities

  13. Automatic control in petroleum, petrochemical and desalination industries

    SciTech Connect (OSTI)

    Kotob, S.

    1986-01-01

    This is the second IFAC workshop on the subject of Automatic Control in Oil and Desalination Industries. Presentations and discussions underscored the priorities of oil and desalination industries in getting better overall quality, improved energy use, lower cost, and better safety and security. These factors will take on added importance to oil exporting nations that have been hit recently by large oil price declines, which are forcing them to improve the efficiency of their industries and rationalize all new capital expenditures. Papers presented at the workshop included reviews of theoretical developments in control and research in modelling, optimization, instrumentation and control. They included the latest developments in applications of control systems to petroleum, petrochemical and desalination industries such as refineries, multi-stage flash desalination, chemical reactors, and bioreactors. The papers covered the latest in the applications of adaptive control, robust control, decentralized control, bilinear control, measurement techniques, plant optimization and maintenance, and artificial intelligence. Several case studies on modernization of refineries and controls and its economics were included. Two panel discussions, on new projects at the Kuwait National Petroleum Company (KNPC) and needs for control systems were held. Participation in the workshop came from the oil industry and academic institutions.

  14. Thackeray receives Murphree Award from the American Chemical...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Murphree Award in Industrial and Engineering Chemistry by the American Chemical Society (ACS). The award, sponsored by ExxonMobil Research and Engineering, recognizes outstanding...

  15. Carbon Emissions Reduction Potential in the US Chemicals and...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Carbon Emissions Reduction Potential in the US Chemicals and Pulp and Paper Industries by Applying CHP Technologies, June 1999 Carbon Emissions Reduction Potential in the US ...

  16. Chemical Consortium Holdings Inc ChemCon | Open Energy Information

    Open Energy Info (EERE)

    Hydro, Hydrogen Product: Develops and operates projects in the bioethanol, biodiesel, methanol, hydrogen and liquid natural gas industries. References: Chemical Consortium Holdings...

  17. Magnetic BiMn-α phase synthesis prediction: First-principles calculation, thermodynamic modeling and nonequilibrium chemical partitioning

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, S. H.; Liu, C.; Yao, Y. X.; Du, Y.; Zhang, L. J.; Wang, C. -Z.; Ho, K. -M.; Kramer, M. J.

    2016-04-29

    BiMn-α is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single BiMn-α phase. The objective of this study is to assess driving force for crystalline phase pathways under far-from-equilibrium conditions. First-principles calculations with Hubbard U correction are performed to provide a robust description of the thermodynamic behavior. The energetics associated with various degrees of the chemical partitioning are quantified to predict temperature, magnetic field, and time dependence of the phase selection. By assessing the phase transformation under the influence of the chemical partitioning, temperatures, and cooling rate from our calculations, we suggestmore » that it is possible to synthesize the magnetic BiMn-α compound in a congruent manner by rapid solidification. The external magnetic field enhances the stability of the BiMn-α phase. In conclusion, the compositions of the initial compounds from these highly driven liquids can be far from equilibrium.« less

  18. Chemical composition analysis and product consistency tests to support enhanced Hanford waste glass models. Results for the third set of high alumina outer layer matrix glasses

    SciTech Connect (OSTI)

    Fox, K. M.; Edwards, T. B.

    2015-12-01

    In this report, the Savannah River National Laboratory provides chemical analyses and Product Consistency Test (PCT) results for 14 simulated high level waste glasses fabricated by the Pacific Northwest National Laboratory. The results of these analyses will be used as part of efforts to revise or extend the validation regions of the current Hanford Waste Treatment and Immobilization Plant glass property models to cover a broader span of waste compositions. The measured chemical composition data are reported and compared with the targeted values for each component for each glass. All of the measured sums of oxides for the study glasses fell within the interval of 96.9 to 100.8 wt %, indicating recovery of all components. Comparisons of the targeted and measured chemical compositions showed that the measured values for the glasses met the targeted concentrations within 10% for those components present at more than 5 wt %. The PCT results were normalized to both the targeted and measured compositions of the study glasses. Several of the glasses exhibited increases in normalized concentrations (NCi) after the canister centerline cooled (CCC) heat treatment. Five of the glasses, after the CCC heat treatment, had NCB values that exceeded that of the Environmental Assessment (EA) benchmark glass. These results can be combined with additional characterization, including X-ray diffraction, to determine the cause of the higher release rates.

  19. A Generic Biogeochemical Module for Earth System Models: Next Generation BioGeoChemical Module (NGBGC), Version 1.0

    SciTech Connect (OSTI)

    Fang, Yilin; Huang, Maoyi; Liu, Chongxuan; Li, Hongyi; Leung, Lai-Yung R.

    2013-11-13

    Physical and biogeochemical processes regulate soil carbon dynamics and CO2 flux to and from atmosphere, influencing global climate changes. Integration of these processes into earth system models (e.g., community land models (CLM)), however, currently faces three major challenges: 1) extensive efforts are required to modify modeling structures and to rewrite computer programs to incorporate new or updated processes as new knowledge is being generated, 2) computational cost is prohibitively expensive to simulate biogeochemical processes in land models due to large variations in the rates of biogeochemical processes, and 3) various mathematical representations of biogeochemical processes exist to incorporate different aspects of fundamental mechanisms, but systematic evaluation of the different mathematical representations is difficult, if not possible. To address these challenges, we propose a new computational framework to easily incorporate physical and biogeochemical processes into land models. The new framework consists of a new biogeochemical module with a generic algorithm and reaction database so that new and updated processes can be incorporated into land models without the need to manually set up the ordinary differential equations to be solved numerically. The reaction database consists of processes of nutrient flow through the terrestrial ecosystems in plants, litter and soil. This framework facilitates effective comparison studies of biogeochemical cycles in an ecosystem using different conceptual models under the same land modeling framework. The approach was first implemented in CLM and benchmarked against simulations from the original CLM-CN code. A case study was then provided to demonstrate the advantages of using the new approach to incorporate a phosphorus cycle into the CLM model. To our knowledge, the phosphorus-incorporated CLM is a new model that can be used to simulate phosphorus limitation on the productivity of terrestrial ecosystems.

  20. Partnerships For Industry - JCAP

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    115.jpg Partnerships For Industry Connect With JCAP Contact Us Partnerships For Researchers Partnerships For Industry Visit JCAP Connect with JCAP Contact Us Partnerships For Researchers Partnerships For Industry Visit JCAP partnerships for industry JCAP has established an Industrial Partnership Program. For more information on Industrial Partnership Program or to learn more about other modes of industrial interactions with JCAP, please contact: California Institute of Technology Office of

  1. Three Better Plants Partners Recognized at Industrial Energy Technology

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Conference | Department of Energy Three Better Plants Partners Recognized at Industrial Energy Technology Conference Three Better Plants Partners Recognized at Industrial Energy Technology Conference June 30, 2016 - 4:20pm Addthis Jay_Wrobel_1.jpg Two Better Plants Challenge partners, Celanese Corporation and Eastman Chemical Company, and a Better Plants Program partner, The Dow Chemical Company, were recognized at the 2016 Industrial Energy Technology Conference (IETC) for their energy

  2. Chemical sensors

    DOE Patents [OSTI]

    Lowell, J.R. Jr.; Edlund, D.J.; Friesen, D.T.; Rayfield, G.W.

    1992-06-09

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material. 12 figs.

  3. Chemical sensors

    DOE Patents [OSTI]

    Lowell, Jr., James R.; Edlund, David J.; Friesen, Dwayne T.; Rayfield, George W.

    1992-01-01

    Sensors responsive to small changes in the concentration of chemical species are disclosed, comprising a mechanicochemically responsive polymeric film capable of expansion or contraction in response to a change in its chemical environment, either operatively coupled to a transducer capable of directly converting the expansion or contraction to a measurable electrical or optical response, or adhered to a second inert polymeric strip, or doped with a conductive material.

  4. ET Industries: Noncompliance Determination (2012-SE-2902)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Noncompliance Determination to ET Industries, Inc. finding that showerhead basic model TH-1 does not comport with the water conservation standards.

  5. United Nations Industrial Development Organization (UNIDO) |...

    Open Energy Info (EERE)

    UNIDO Programs 2 References Resources UNIDO Tools A Global Technology Roadmap on Carbon Capture and Storage in Industry COMFAR III: Computer Model for Feasibility Analysis and...

  6. Zoe Industries: Data Request (2010-SW-1602)

    Broader source: Energy.gov [DOE]

    DOE requested test data from Zoe Industries, Inc., to permit the Department to evaluate whether a particular model of showerhead meets the applicable water conservation standard.

  7. Zoe Industries: Noncompliance Determination (2011-SW-2912)

    Broader source: Energy.gov [DOE]

    DOE issued a Notice of Noncompliance Determination to Zoe Industries, Inc. finding that Giessdorf 150043 model, a showerhead, does not comport with the water conservation standards.

  8. Using laboratory flow experiments and reactive chemical transport modeling for designing waterflooding of the Agua Fria Reservoir, Poza Rica-Altamira Field, Mexico

    SciTech Connect (OSTI)

    Birkle, P.; Pruess, K.; Xu, T.; Figueroa, R.A. Hernandez; Lopez, M. Diaz; Lopez, E. Contreras

    2008-10-01

    Waterflooding for enhanced oil recovery requires that injected waters must be chemically compatible with connate reservoir waters, in order to avoid mineral dissolution-and-precipitation cycles that could seriously degrade formation permeability and injectivity. Formation plugging is a concern especially in reservoirs with a large content of carbonates, such as calcite and dolomite, as such minerals typically react rapidly with an aqueous phase, and have strongly temperature-dependent solubility. Clay swelling can also pose problems. During a preliminary waterflooding pilot project, the Poza Rica-Altamira oil field, bordering the Gulf coast in the eastern part of Mexico, experienced injectivity loss after five months of reinjection of formation waters into well AF-847 in 1999. Acidizing with HCl restored injectivity. We report on laboratory experiments and reactive chemistry modeling studies that were undertaken in preparation for long-term waterflooding at Agua Frma. Using analogous core plugs obtained from the same reservoir interval, laboratory coreflood experiments were conducted to examine sensitivity of mineral dissolution and precipitation effects to water composition. Native reservoir water, chemically altered waters, and distilled water were used, and temporal changes in core permeability, mineral abundances and aqueous concentrations of solutes were monitored. The experiments were simulated with the multi-phase, nonisothermal reactive transport code TOUGHREACT, and reasonable to good agreement was obtained for changes in solute concentrations. Clay swelling caused an additional impact on permeability behavior during coreflood experiments, whereas the modeled permeability depends exclusively on chemical processes. TOUGHREACT was then used for reservoir-scale simulation of injecting ambient-temperature water (30 C, 86 F) into a reservoir with initial temperature of 80 C (176 F). Untreated native reservoir water was found to cause serious porosity and

  9. Artificial neural network modeling of the spontaneous combustion occurring in the industrial-scale coal stockpiles with 10-18 mm coal grain sizes

    SciTech Connect (OSTI)

    Ozdeniz, A.H.; Yilmaz, N.

    2009-07-01

    Companies consuming large amounts of coal should work with coal stocks in order to not face problems due to production delays. The industrial-scale stockpiles formed for the aforementioned reasons cause environmental problems and economic losses for the companies. This study was performed in a coal stock area of a large company in Konya, which uses large amounts of coal in its manufacturing units. The coal stockpile with 5 m width, 10 m length, 3 m height, and having 120 tons of weight was formed in the coal stock area of the company. The inner temperature data of the stockpile was recorded by 17 temperature sensors placed inside the stockpile at certain points. In order to achieve this goal, the electrical signal conversion of temperatures sensed by 17 temperature sensors placed in certain points inside the coal stockpile, the transfer of these electrical signals into computer media by using analog-digital conversion unit after applying necessary filtration and upgrading processes, and the record of these information into a database in particular time intervals are provided. Additionally, the data relating to the air temperature, air humidity, atmospheric pressure, wind velocity, and wind direction that are the parameters affecting the coal stockpile were also recorded. Afterwards, these measurement values were used for training and testing of an artificial neural network model. Comparison of the experimental and artificial neural network results, accuracy rates of training and testing were found to be 99.5% and 99.17%, respectively. It is shown that possible coal stockpile behavior with this artificial neural network model is powerfully estimated.

  10. Chemical sciences, annual report 1993

    SciTech Connect (OSTI)

    Not Available

    1994-10-01

    The Chemical Sciences Division (CSD) is one of eleven research Divisions of the Lawrence Berkeley Laboratory, a DOE National Laboratory. In FY 1993, the Division made considerable progress on developing two end-stations and a beamline to advance combustion dynamics at the Advanced Light Source (ALS). In support of DOE`s national role in combustion research and chemical science, the beamline effort will enable researchers from around the world to make fundamental advances in understanding the structure and reactivity of critical reaction intermediates and transients, and in understanding the dynamics of elementary chemical reactions. The Division has continued to place a strong emphasis on full compliance with environmental health and safety guidelines and regulations and has made progress in technology transfer to industry. Finally, the Division has begun a new program in advanced battery research and development that should help strengthen industrial competitiveness both at home and abroad.

  11. THE ABUNDANCE OF MOLECULAR HYDROGEN AND ITS CORRELATION WITH MIDPLANE PRESSURE IN GALAXIES: NON-EQUILIBRIUM, TURBULENT, CHEMICAL MODELS

    SciTech Connect (OSTI)

    Mac Low, Mordecai-Mark; Glover, Simon C. O. E-mail: glover@uni-heidelberg.de

    2012-02-20

    Observations of spiral galaxies show a strong linear correlation between the ratio of molecular to atomic hydrogen surface density R{sub mol} and midplane pressure. To explain this, we simulate three-dimensional, magnetized turbulence, including simplified treatments of non-equilibrium chemistry and the propagation of dissociating radiation, to follow the formation of H{sub 2} from cold atomic gas. The formation timescale for H{sub 2} is sufficiently long that equilibrium is not reached within the 20-30 Myr lifetimes of molecular clouds. The equilibrium balance between radiative dissociation and H{sub 2} formation on dust grains fails to predict the time-dependent molecular fractions we find. A simple, time-dependent model of H{sub 2} formation can reproduce the gross behavior, although turbulent density perturbations increase molecular fractions by a factor of few above it. In contradiction to equilibrium models, radiative dissociation of molecules plays little role in our model for diffuse radiation fields with strengths less than 10 times that of the solar neighborhood, because of the effective self-shielding of H{sub 2}. The observed correlation of R{sub mol} with pressure corresponds to a correlation with local gas density if the effective temperature in the cold neutral medium of galactic disks is roughly constant. We indeed find such a correlation of R{sub mol} with density. If we examine the value of R{sub mol} in our local models after a free-fall time at their average density, as expected for models of molecular cloud formation by large-scale gravitational instability, our models reproduce the observed correlation over more than an order-of-magnitude range in density.

  12. Nonlocal Polyakov-Nambu-Jona-Lasinio model with wave function renormalization at finite temperature and chemical potential

    SciTech Connect (OSTI)

    Contrera, G. A.; Orsaria, M.; Scoccola, N. N.

    2010-09-01

    We study the phase diagram of strongly interacting matter in the framework of a nonlocal SU(2) chiral quark model which includes wave function renormalization and coupling to the Polyakov loop. Both nonlocal interactions based on the frequently used exponential form factor, and on fits to the quark mass and renormalization functions obtained in lattice calculations are considered. Special attention is paid to the determination of the critical points, both in the chiral limit and at finite quark mass. In particular, we study the position of the critical end point as well as the value of the associated critical exponents for different model parametrizations.

  13. Carbon Emissions: Food Industry

    U.S. Energy Information Administration (EIA) Indexed Site

    Food Industry Carbon Emissions in the Food Industry The Industry at a Glance, 1994 (SIC Code: 20) Total Energy-Related Emissions: 24.4 million metric tons of carbon (MMTC) -- Pct....

  14. A Conceptual Model for Partially PremixedLow-Temperature Diesel Combustion Based onIn-Cylinder Laser Diagnostics and Chemical Kinetics Modeling

    Broader source: Energy.gov [DOE]

    Conceptual models for low temperature combustion diesel engines are offered based on recent research within optically accessible engines and combustion chambers.

  15. Chemical Dynamics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical 'Sponges' Could Make Chemo Safer Chemical 'Sponges' Could Make Chemo Safer July 8, 2016 - 4:22pm Addthis A sample of a polymer-based membrane material created at Berkeley Lab. It’s designed to soak up cancer drugs and limit their side effects. | Photo by Roy Kaltschmidt, Berkeley Lab. A sample of a polymer-based membrane material created at Berkeley Lab. It's designed to soak up cancer drugs and limit their side effects. | Photo by Roy Kaltschmidt, Berkeley Lab. Glenn Roberts Jr.

  16. A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

    SciTech Connect (OSTI)

    Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

    2005-07-01

    The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectives of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.

  17. A FRAMEWORK TO DESIGN AND OPTIMIZE CHEMICAL FLOODING PROCESSES

    SciTech Connect (OSTI)

    Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

    2004-11-01

    The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectives of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.

  18. A Framework to Design and Optimize Chemical Flooding Processes

    SciTech Connect (OSTI)

    Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

    2006-08-31

    The goal of this proposed research is to provide an efficient and user friendly simulation framework for screening and optimizing chemical/microbial enhanced oil recovery processes. The framework will include (1) a user friendly interface to identify the variables that have the most impact on oil recovery using the concept of experimental design and response surface maps, (2) UTCHEM reservoir simulator to perform the numerical simulations, and (3) an economic model that automatically imports the simulation production data to evaluate the profitability of a particular design. Such a reservoir simulation framework is not currently available to the oil industry. The objectives of Task 1 are to develop three primary modules representing reservoir, chemical, and well data. The modules will be interfaced with an already available experimental design model. The objective of the Task 2 is to incorporate UTCHEM reservoir simulator and the modules with the strategic variables and developing the response surface maps to identify the significant variables from each module. The objective of the Task 3 is to develop the economic model designed specifically for the chemical processes targeted in this proposal and interface the economic model with UTCHEM production output. Task 4 is on the validation of the framework and performing simulations of oil reservoirs to screen, design and optimize the chemical processes.

  19. New Jersey Industrial Energy Program | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    New Jersey Industrial Energy Program New Jersey Industrial Energy Program Map highlighting New Jersey New Jersey is home to energy-intensive industrial manufacturing sectors such as chemicals, computers and electronics, and transportation equipment manufacturing. In 2007, industrial manufacturing in the state contributed to approximately 10% of New Jersey's gross domestic product and 20% of the state's energy usage, consuming 452.1 trillion British thermal units (Btu). As part of an initiative

  20. Excellence in biotechnology for fuels and chemicals

    SciTech Connect (OSTI)

    Neufeld, S.

    1999-04-23

    The Biotechnology Center for Fuels and Chemicals (BCFC) leads a national effort, in cooperation with industry, to develop innovative, market-driven biotechnologies for producing fuels and chemicals from renewable resources. The BCFC researchers focus on using bioprocesses to convert renewable biomass feedstocks into valuable products.

  1. Electric Utility Industry Update

    Broader source: Energy.gov [DOE]

    Presentation—given at the April 2012 Federal Utility Partnership Working Group (FUPWG) meeting—covers significant electric industry trends and industry priorities with federal customers.

  2. Uranium industry annual 1997

    SciTech Connect (OSTI)

    1998-04-01

    This report provides statistical data on the U.S. uranium industry`s activities relating to uranium raw materials and uranium marketing.

  3. Industrial | Open Energy Information

    Open Energy Info (EERE)

    Trends Despite a 54-percent increase in industrial shipments, industrial energy consumption increases by only 19 percent from 2009 to 2035 in the AEO2011 Reference case....

  4. Chemical Occurrences

    Broader source: Energy.gov [DOE]

    Classification of Chemical Occurrence Reports into the following four classes: Occurrences characterized by serious energy release, injury or exposure requiring medical treatment, or severe environmental damage, Occurrences characterized by minor injury or exposure, or reportable environmental release, Occurrences that were near misses including notable safety violations and Minor occurrences.

  5. LS Industrial Systems Co Ltd formerly LG Industrial Systems ...

    Open Energy Info (EERE)

    LS Industrial Systems Co Ltd formerly LG Industrial Systems Jump to: navigation, search Name: LS Industrial Systems Co Ltd (formerly LG Industrial Systems) Place: Anyang,...

  6. A method for the assessment of site-specific economic impacts of commercial and industrial biomass energy facilities. A handbook and computer model

    SciTech Connect (OSTI)

    Not Available

    1994-10-01

    A handbook on ``A Method for the Assessment of Site-specific Econoomic Impacts of Industrial and Commercial Biomass Energy Facilities`` has been prepared by Resource Systems Group Inc. under contract to the Southeastern Regional Biomass Energy Program (SERBEP). The handbook includes a user-friendly Lotus 123 spreadsheet which calculates the economic impacts of biomass energy facilities. The analysis uses a hybrid approach, combining direct site-specific data provided by the user, with indirect impact multipliers from the US Forest Service IMPLAN input/output model for each state. Direct economic impacts are determined primarily from site-specific data and indirect impacts are determined from the IMPLAN multipliers. The economic impacts are given in terms of income, employment, and state and federal taxes generated directly by the specific facility and by the indirect economic activity associated with each project. A worksheet is provided which guides the user in identifying and entering the appropriate financial data on the plant to be evaluated. The WLAN multipliers for each state are included in a database within the program. The multipliers are applied automatically after the user has entered the site-specific data and the state in which the facility is located. Output from the analysis includes a summary of direct and indirect income, employment and taxes. Case studies of large and small wood energy facilities and an ethanol plant are provided as examples to demonstrate the method. Although the handbook and program are intended for use by those with no previous experience in economic impact analysis, suggestions are given for the more experienced user who may wish to modify the analysis techniques.

  7. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    SciTech Connect (OSTI)

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observation is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.

  8. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observationmore » is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.« less

  9. Technology for Increasing Geothermal Energy Productivity. Computer Models to Characterize the Chemical Interactions of Goethermal Fluids and Injectates with Reservoir Rocks, Wells, Surface Equiptment

    SciTech Connect (OSTI)

    Nancy Moller Weare

    2006-07-25

    This final report describes the results of a research program we carried out over a five-year (3/1999-9/2004) period with funding from a Department of Energy geothermal FDP grant (DE-FG07-99ID13745) and from other agencies. The goal of research projects in this program were to develop modeling technologies that can increase the understanding of geothermal reservoir chemistry and chemistry-related energy production processes. The ability of computer models to handle many chemical variables and complex interactions makes them an essential tool for building a fundamental understanding of a wide variety of complex geothermal resource and production chemistry. With careful choice of methodology and parameterization, research objectives were to show that chemical models can correctly simulate behavior for the ranges of fluid compositions, formation minerals, temperature and pressure associated with present and near future geothermal systems as well as for the very high PT chemistry of deep resources that is intractable with traditional experimental methods. Our research results successfully met these objectives. We demonstrated that advances in physical chemistry theory can be used to accurately describe the thermodynamics of solid-liquid-gas systems via their free energies for wide ranges of composition (X), temperature and pressure. Eight articles on this work were published in peer-reviewed journals and in conference proceedings. Four are in preparation. Our work has been presented at many workshops and conferences. We also considerably improved our interactive web site (geotherm.ucsd.edu), which was in preliminary form prior to the grant. This site, which includes several model codes treating different XPT conditions, is an effective means to transfer our technologies and is used by the geothermal community and other researchers worldwide. Our models have wide application to many energy related and other important problems (e.g., scaling prediction in petroleum

  10. Carbon Emissions Reduction Potential in the US Chemicals and Pulp and Paper

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industries by Applying CHP Technologies, June 1999 | Department of Energy Carbon Emissions Reduction Potential in the US Chemicals and Pulp and Paper Industries by Applying CHP Technologies, June 1999 Carbon Emissions Reduction Potential in the US Chemicals and Pulp and Paper Industries by Applying CHP Technologies, June 1999 The purpose of this 1999 paper is to estimate the remaining CHP potential in the chemicals and pulp/paper industries by capacity size, and estimate energy savings and

  11. Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

    SciTech Connect (OSTI)

    Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

    2015-04-23

    We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injection strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still significant

  12. Users from Industry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Users from Industry Users from Industry Print The Advanced Light Source (ALS) welcomes industrial users from large and small companies whose projects advance scientific knowledge, investigate the development of new products and manufacturing methods, and/or provide economic benefits and jobs to the economy. The nature of industrial research can be different from traditional university and government sponsored projects, so the ALS has created unique opportunities for new and existing industrial

  13. Alternative, Renewable and Novel Feedstocks for Producing Chemicals

    SciTech Connect (OSTI)

    none,

    2007-07-01

    Vision2020 and ITP directed the Alternative, Renewable and Novel Feedstocks project to identify industrial options and to determine the work required to make alternative, renewable and novel feedstock options attractive to the U.S. chemicals industry. This report presents the Alternative, Renewable and Novel Feedstocks project findings which were based on a technology review and industry workshop.

  14. Air Products & Chemicals, Inc. | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Air Products & Chemicals, Inc. Air Products & Chemicals, Inc. Image courtesy of Air Products and Chemicals, Inc Image courtesy of Air Products and Chemicals, Inc APCI PORT ARTHUR ICCS PROJECT In October 2009, DOE selected the Air Products and Chemicals, Inc. (APCI) team to conduct one of 12 projects in Phase 1 of its Industrial Carbon Capture and Storage (ICCS) program. DOE again selected the project in June 2010 as one of three projects to receive continued (Phase 2) funding. In total,

  15. Industrial energy-efficiency-improvement program

    SciTech Connect (OSTI)

    Not Available

    1980-12-01

    Progress made by industry toward attaining the voluntary 1980 energy efficiency improvement targets is reported. The mandatory reporting population has been expanded from ten original industries to include ten additional non-targeted industries and all corporations using over one trillion Btu's annually in any manufacturing industry. The ten most energy intensive industries have been involved in the reporting program since the signing of the Energy Policy and Conservation Act and as industrial energy efficiency improvement overview, based primarily on information from these industries (chemicals and allied products; primary metal industry; petroleum and coal products; stone, clay, and glass products; paper and allied products; food and kindred products; fabricated metal products; transportation equipment; machinery, except electrical; and textile mill products), is presented. Reports from industries, now required to report, are included for rubber and miscellaneous plastics; electrical and electronic equipment; lumber and wood; and tobacco products. Additional data from voluntary submissions are included for American Gas Association; American Hotel and Motel Association; General Telephone and Electronics Corporation; and American Telephone and Telegraph Company. (MCW)

  16. Chemical Dynamics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing ... Heavy Duty Fuels DISI Combustion HCCISCCI Fundamentals Spray Combustion Modeling ...

  17. China develops natural gas industry

    SciTech Connect (OSTI)

    An, Z.

    1982-09-06

    As of 1981, China was producing some 474.4 billion CF (12.74 billion m/sup 3/)/yr of natural gas from over 60 gas fields, 40 of them in Sichuan Province. The Sichuan gas lies in fractures and solution cavities in limestone and dolomite formations that generally require stimulation. After desulfurization, the gas is used by the steel and chemical industries and for residential heating. Recent discoveries in other areas of China include the Guxinzhuang field in the Bohai-North China basin, where geological conditions favor large gas pools, and the Sebei fields in Qaidam basin, northwest China.

  18. Biological and Chemical Security

    SciTech Connect (OSTI)

    Fitch, P J

    2002-12-19

    The LLNL Chemical & Biological National Security Program (CBNP) provides science, technology and integrated systems for chemical and biological security. Our approach is to develop and field advanced strategies that dramatically improve the nation's capabilities to prevent, prepare for, detect, and respond to terrorist use of chemical or biological weapons. Recent events show the importance of civilian defense against terrorism. The 1995 nerve gas attack in Tokyo's subway served to catalyze and focus the early LLNL program on civilian counter terrorism. In the same year, LLNL began CBNP using Laboratory-Directed R&D investments and a focus on biodetection. The Nunn-Lugar-Domenici Defense Against Weapons of Mass Destruction Act, passed in 1996, initiated a number of U.S. nonproliferation and counter-terrorism programs including the DOE (now NNSA) Chemical and Biological Nonproliferation Program (also known as CBNP). In 2002, the Department of Homeland Security was formed. The NNSA CBNP and many of the LLNL CBNP activities are being transferred as the new Department becomes operational. LLNL has a long history in national security including nonproliferation of weapons of mass destruction. In biology, LLNL had a key role in starting and implementing the Human Genome Project and, more recently, the Microbial Genome Program. LLNL has over 1,000 scientists and engineers with relevant expertise in biology, chemistry, decontamination, instrumentation, microtechnologies, atmospheric modeling, and field experimentation. Over 150 LLNL scientists and engineers work full time on chemical and biological national security projects.

  19. The new model of chemical evolution of r-process elements based on the hierarchical galaxy formation. I. Ba and Eu

    SciTech Connect (OSTI)

    Komiya, Yutaka; Suda, Takuma; Yamada, Shimako; Fujimoto, Masayuki Y.

    2014-03-10

    We investigate the chemical enrichment of r-process elements in the early evolutionary stages of the Milky Way halo within the framework of hierarchical galaxy formation using a semi-analytic merger tree. In this paper, we focus on heavy r-process elements, Ba and Eu, of extremely metal-poor (EMP) stars and give constraints on their astronomical sites. Our models take into account changes of the surface abundances of EMP stars by the accretion of interstellar medium (ISM). We also consider metal-enrichment of intergalactic medium by galactic winds and the resultant pre-enrichment of proto-galaxies. The trend and scatter of the observed r-process abundances are well reproduced by our hierarchical model with ∼10% of core-collapse supernovae in low-mass end (∼10 M {sub ☉}) as a dominant r-process source and the star formation efficiency of ∼10{sup –10} yr{sup –1}. For neutron star mergers as an r-process source, their coalescence timescale has to be ∼10{sup 7} yr, and the event rates ∼100 times larger than currently observed in the Galaxy. We find that the accretion of ISM is a dominant source of r-process elements for stars with [Ba/H] < –3.5. In this model, a majority of stars at [Fe/H] < –3 are formed without r-process elements, but their surfaces are polluted by the ISM accretion. The pre-enrichment affects ∼4% of proto-galaxies, and yet, is surpassed by the ISM accretion in the surface of EMP stars.

  20. Industry strengths open new services opportunities

    SciTech Connect (OSTI)

    Heller, K.

    1993-03-10

    The environmental service industry is in a state of transition in which innovative technologies are increasingly playing a critical role. These changes play to the strengths of the chemical industry, and several firms are effectively growing environmental businesses. At the same time, chemical companies, which are among the largest buyers of environmental services, are making decisions that reflect the changes. Du Pont, for example, has decided to rethink its involvement with the controversial Waste Technologies Industries (WTI) hazardous waste incinerator in East Liverpool, OH. Initially expecting a shortage of incineration capacity, Du Pont had signed a contract - along with BASF and Chemical Waste Management - for a share of capacity at the 60,000-tons/year WTI unit. A number of chemical firms are leveraging their strengths. Air Products and Chemicals (Allentown, PA), for one, has partnerships in the waste-to-energy and flue-gas desulfurization businesses. The company runs cogeneration plants that can burn a combination of coal and natural gas to make both steam and electricity. Air Products assorted businesses can be strong at different times, says Hinman. The flue-gas desulfurization business, for example, was active during the first phase of enforcement of the 1990 Clean Air Act requirements for lower sulfur dioxide (SO[sub 2]) emissions.

  1. Evaluating temperature and fuel stratification for heat-release rate control in a reactivity-controlled compression-ignition engine using optical diagnostics and chemical kinetics modeling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Musculus, Mark P. B.; Kokjohn, Sage L.; Reitz, Rolf D.

    2015-04-23

    We investigated the combustion process in a dual-fuel, reactivity-controlled compression-ignition (RCCI) engine using a combination of optical diagnostics and chemical kinetics modeling to explain the role of equivalence ratio, temperature, and fuel reactivity stratification for heat-release rate control. An optically accessible engine is operated in the RCCI combustion mode using gasoline primary reference fuels (PRF). A well-mixed charge of iso-octane (PRF = 100) is created by injecting fuel into the engine cylinder during the intake stroke using a gasoline-type direct injector. Later in the cycle, n-heptane (PRF = 0) is delivered through a centrally mounted diesel-type common-rail injector. This injectionmore » strategy generates stratification in equivalence ratio, fuel blend, and temperature. The first part of this study uses a high-speed camera to image the injection events and record high-temperature combustion chemiluminescence. Moreover, the chemiluminescence imaging showed that, at the operating condition studied in the present work, mixtures in the squish region ignite first, and the reaction zone proceeds inward toward the center of the combustion chamber. The second part of this study investigates the charge preparation of the RCCI strategy using planar laser-induced fluorescence (PLIF) of a fuel tracer under non-reacting conditions to quantify fuel concentration distributions prior to ignition. The fuel-tracer PLIF data show that the combustion event proceeds down gradients in the n-heptane distribution. The third part of the study uses chemical kinetics modeling over a range of mixtures spanning the distributions observed from the fuel-tracer fluorescence imaging to isolate the roles of temperature, equivalence ratio, and PRF number stratification. The simulations predict that PRF number stratification is the dominant factor controlling the ignition location and growth rate of the reaction zone. Equivalence ratio has a smaller, but still

  2. EERE INDUSTRY DAY

    Office of Energy Efficiency and Renewable Energy (EERE)

    On September 23-24, 2015 the inaugural EERE Industry Day was held at Oak Ridge National Laboratory to foster relationships and encourage dialog among researchers, industry representatives, and U.S. Department of Energy representatives.

  3. Chemical and isotopic characteristics of fluids within the Baca...

    Open Energy Info (EERE)

    by conductive reheating during downward movement. Chemical modeling using the EQ3NR computer code indicates chemical stability with the mineral assemblage quartz, albite, K-mica,...

  4. Geothermal Industry Partnership Opportunities

    Broader source: Energy.gov [DOE]

    Here you'll find links to information about partnership opportunities and programs for the geothermal industry.

  5. Chemical Kinetic Modeling of Fuels

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  6. Photovoltaics industry profile

    SciTech Connect (OSTI)

    1980-10-01

    A description of the status of the US photovoltaics industry is given. Principal end-user industries are identified, domestic and foreign market trends are discussed, and industry-organized and US government-organized trade promotion events are listed. Trade associations and trade journals are listed, and a photovoltaic product manufacturers list is included. (WHK)

  7. Industrial Energy Efficiency Assessments

    Broader source: Energy.gov (indexed) [DOE]

    Energy Efficiency Assessments Lynn Price Staff Scientist China Energy Group Energy Analysis Department Environmental Energy Technologies Division Lawrence Berkeley National Laboratory Industrial Energy Efficiency Assessments - Definition and overview of key components - International experience - Chinese situation and recommendations - US-China collaboration Industrial Energy Efficiency Assessments - Analysis of the use of energy and potential for energy efficiency in an industrial facility *

  8. Industrial Dojo Program Fosters Industrial Internet Development...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    SAN RAMON, CA-May 11, 2015-GE Software (NYSE: GE) today announced its 'Industrial Dojo,' ... The Cloud Foundry Dojo program allows software developers to immerse themselves in open ...

  9. Risk assessment for the Waste Technologies Industries (WTI) hazardous waste incineration facility (East Liverpool, Ohio). Volume 4. Atmospheric dispersion and deposition modeling of emissions

    SciTech Connect (OSTI)

    1997-05-01

    Contents: Introduction; Technical Description of ISC-COMPDEP; Modeling Input Parameters; Discussion of Modeling Results; Summary and Major Assumptions; and References.

  10. Nationwide Industries: Order (2011-CW-2803)

    Broader source: Energy.gov [DOE]

    DOE ordered Nationwide Industries, Inc., d/b/a Banner Faucets to pay a $6,000 civil penalty after finding Nationwide Industries had failed to certify that certain models of faucets and showerheads comply with the applicable water conservation standards.

  11. Crystal chemical modeling of the Li ion distribution in Li{sub x}Mn{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Rohrer, C.L.; Rohrer, G.S.

    1996-12-31

    The Monte Carlo bond valence method was used to model the local atomic structure of Li{sub x}Mn{sub 2}O{sub 4} (x = 0.25 and x = 1.0). The results predict that Mn{sup +3} and Mn{sup +4} are randomly distributed at the octahedral positions and that the Mn{sup +3}-O bond distance is 2.02 {Angstrom} while the Mn{sup +4}-O distance is 1.91 {Angstrom}. As the Li content decreases, the cell contracts due to the higher concentration of shorter bonds. Based on maps that show the distribution of crystal chemically equivalent sites, we conclude that the Li ion diffusion paths go through 48f sites, that Li might be more mobile for the case of x = 1.0 than for x = 0.25 (due to the expanded cell volume), and that for x > 1, the 16c position is the most likely Li site.

  12. Uranium industry annual 1994

    SciTech Connect (OSTI)

    1995-07-05

    The Uranium Industry Annual 1994 (UIA 1994) provides current statistical data on the US uranium industry`s activities relating to uranium raw materials and uranium marketing during that survey year. The UIA 1994 is prepared for use by the Congress, Federal and State agencies, the uranium and nuclear electric utility industries, and the public. It contains data for the 10-year period 1985 through 1994 as collected on the Form EIA-858, ``Uranium Industry Annual Survey.`` Data collected on the ``Uranium Industry Annual Survey`` (UIAS) provide a comprehensive statistical characterization of the industry`s activities for the survey year and also include some information about industry`s plans and commitments for the near-term future. Where aggregate data are presented in the UIA 1994, care has been taken to protect the confidentiality of company-specific information while still conveying accurate and complete statistical data. A feature article, ``Comparison of Uranium Mill Tailings Reclamation in the United States and Canada,`` is included in the UIA 1994. Data on uranium raw materials activities including exploration activities and expenditures, EIA-estimated resources and reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities, including purchases of uranium and enrichment services, and uranium inventories, enrichment feed deliveries (actual and projected), and unfilled market requirements are shown in Chapter 2.

  13. Uranium industry annual 1998

    SciTech Connect (OSTI)

    1999-04-22

    The Uranium Industry Annual 1998 (UIA 1998) provides current statistical data on the US uranium industry`s activities relating to uranium raw materials and uranium marketing. It contains data for the period 1989 through 2008 as collected on the Form EIA-858, ``Uranium Industry Annual Survey.`` Data provides a comprehensive statistical characterization of the industry`s activities for the survey year and also include some information about industry`s plans and commitments for the near-term future. Data on uranium raw materials activities for 1989 through 1998, including exploration activities and expenditures, EIA-estimated reserves, mine production of uranium, production of uranium concentrate, and industry employment, are presented in Chapter 1. Data on uranium marketing activities for 1994 through 2008, including purchases of uranium and enrichment services, enrichment feed deliveries, uranium fuel assemblies, filled and unfilled market requirements, and uranium inventories, are shown in Chapter 2. The methodology used in the 1998 survey, including data edit and analysis, is described in Appendix A. The methodologies for estimation of resources and reserves are described in Appendix B. A list of respondents to the ``Uranium Industry Annual Survey`` is provided in Appendix C. The Form EIA-858 ``Uranium Industry Annual Survey`` is shown in Appendix D. For the readers convenience, metric versions of selected tables from Chapters 1 and 2 are presented in Appendix E along with the standard conversion factors used. A glossary of technical terms is at the end of the report. 24 figs., 56 tabs.

  14. Calling All Coders: Help Advance America's Wave Power Industry | Department

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    of Energy Calling All Coders: Help Advance America's Wave Power Industry Calling All Coders: Help Advance America's Wave Power Industry August 4, 2014 - 5:47pm Addthis The Energy Department has launched the second round of a coding competition to help industry develop new models and tools that improve the design, development, and optimization of marine and hydrokinetic devices. The Energy Department has launched the second round of a coding competition to help industry develop new models and

  15. Pollution prevention for the kraft pulp and paper industry

    SciTech Connect (OSTI)

    Not Available

    1992-09-01

    The document is an annotated bibliography of publications related to pollution prevention in the Kraft segment of the pulp and paper industry. It is organized by process area as follows: chip preparation, chemical pulping, pulp washing, bleaching, chemical recovery, recausticizing, power generation, wastewater treatment, papermaking, and general plant. The document contains 269 citations.

  16. Zoe Industries: Order (2010-CW-1405)

    Broader source: Energy.gov [DOE]

    DOE ordered Zoe Industries, Inc. to pay a $5,000 civil penalty after finding Zoe had failed to certify that certain models of showerheads comply with the applicable water conservation standards.

  17. Zoe Industries: Order (2011-SW-2912)

    Broader source: Energy.gov [DOE]

    DOE ordered Zoe Industries, Inc. to pay a $25,000 civil penalty after finding Zoe had manufactured and distributed in commerce in the U.S. at least 2,235 units of basic model 150043, a noncompliant showerhead.

  18. Delivered Energy Consumption Projections by Industry in the Annual Energy Outlook 2002

    Reports and Publications (EIA)

    2002-01-01

    This paper presents delivered energy consumption and intensity projections for the industries included in the industrial sector of the National Energy Modeling System.

  19. Chemical Industry Vision 2020. Annual Report 2004 (Technical...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Advanced Manufacturing Office (EE-5A) Country of Publication: United States Language: English ...

  20. Industrial fouling: problem characterization, economic assessment, and review of prevention, mitigation, and accommodation techniques

    SciTech Connect (OSTI)

    Garrett-Price, B.A.; Smith, S.A.; Watts, R.L.

    1984-02-01

    A comprehensive overview of heat exchanger fouling in the manufacturing industries is provided. Specifically, this overview addresses: the characteristics of industrial fouling problems; the mitigation and accommodation techniques currently used by industry; and the types and magnitude of costs associated with industrial fouling. A detailed review of the fouling problems, costs and mitigation techniques is provided for the food, textile, pulp and paper, chemical, petroleum, cement, glass and primary metals industries.

  1. Macro-Industrial Working Group: meeting 1

    U.S. Energy Information Administration (EIA) Indexed Site

    July 24, 2012 Macroeconomic team: Kay Smith, Russ Tarver, Elizabeth Sendich and Vipin Arora WORKING GROUP PRESENTATION FOR DISCUSSION PURPOSES DO NOT QUOTE OR CITE AS RESULTS ARE SUBJECT TO CHANGE Joint Macro-Industrial Working Group: Annual Energy Outlook 2013 Macroeconomic Modeling Plans Presentation Goals 2 July 24 2012 Joint Macroeconomics and Industrial Working Group * Highlight proposed macroeconomic AEO2013 modeling changes * Description of Proposed Reference Case - Highlight short-term

  2. Predicting Pressure-Dependent Combustion Chemical Reactions

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Chemical Reactions HomeCapabilities, Computational Modeling & Simulation, CRF, Energy, ... in combus-tion and atmospheric chemistry that is expected to benefit auto and ...

  3. Uranium industry annual, 1987

    SciTech Connect (OSTI)

    Not Available

    1988-09-29

    This report provides current statistical data on the US uranium industry for the Congress, federal and state agencies, the uranium and utility industries, and the public. It utilizes data from the mandatory ''Uranium Industry Annual Survey,'' Form EIA-858; historical data collected by the Energy Information Administration (EIA) and by the Grand Junction (Colorado) Project Office of the Idaho Operations Office of the US Department of Energy (DOE); and other data from federal agencies that preceded the DOE. The data provide a comprehensive statistical characterization of the industry's annual activities and include some information about industry plans and commitments over the next several years. Where these data are presented in aggregate form, care has been taken to protect the confidentiality of company-specific data while still conveying an accurate and complete statistical representation of the industry data.

  4. SPIN (Version 3. 83): A Fortran program for modeling one-dimensional rotating-disk/stagnation-flow chemical vapor deposition reactors

    SciTech Connect (OSTI)

    Coltrin, M.E. ); Kee, R.J.; Evans, G.H.; Meeks, E.; Rupley, F.M.; Grcar, J.F. )

    1991-08-01

    In rotating-disk reactor a heated substrate spins (at typical speeds of 1000 rpm or more) in an enclosure through which the reactants flow. The rotating disk geometry has the important property that in certain operating regimes{sup 1} the species and temperature gradients normal to the disk are equal everywhere on the disk. Thus, such a configuration has great potential for highly uniform chemical vapor deposition (CVD),{sup 2--5} and indeed commercial rotating-disk CVD reactors are now available. In certain operating regimes, the equations describing the complex three-dimensional spiral fluid motion can be solved by a separation-of-variables transformation{sup 5,6} that reduces the equations to a system of ordinary differential equations. Strictly speaking, the transformation is only valid for an unconfined infinite-radius disk and buoyancy-free flow. Furthermore, only some boundary conditions are consistent with the transformation (e.g., temperature, gas-phase composition, and approach velocity all specified to be independent of radius at some distances above the disk). Fortunately, however, the transformed equations will provide a very good practical approximation to the flow in a finite-radius reactor over a large fraction of the disk (up to {approximately}90% of the disk radius) when the reactor operating parameters are properly chosen, i.e, high rotation rates. In the limit of zero rotation rate, the rotating disk flow reduces to a stagnation-point flow, for which a similar separation-of-variables transformation is also available. Such flow configurations ( pedestal reactors'') also find use in CVD reactors. In this report we describe a model formulation and mathematical analysis of rotating-disk and stagnation-point CVD reactors. Then we apply the analysis to a compute code called SPIN and describe its implementation and use. 31 refs., 4 figs.

  5. Systems and Industry Analyses

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    systems and industry analyses Go to the NETL Gasification Systems Program's Systems and Industry Analyses Studies Technology & Cost/Performance Studies NETL Gasification Systems Program's Systems and Industry Analyses Studies provide invaluable information, and help to ensure that the technologies being developed are the best ones to develop. System studies are often used to compare competing technologies, determine the best way to integrate a technology with other technologies, and predict

  6. Process industries corrosion: The theory and practice

    SciTech Connect (OSTI)

    Moniz, B.J.; Pollock, W.I.; Gutzeit, J.; Herbert, R.W.; Schluter, J.M.; Siebert, O.W.

    1986-01-01

    The book offers a distillation of experience with materials selection and corrosion control methods in the process industries from specially selected experts in more than 57 specific subject areas. As a result, each paper endeavors not only to provide some theoretical background for a specific subject, but also to explain and describe current industry practice in dealing with that subject. Sections include Basics, Environments, Metals, Nonmetals, Equipment and Practice. The book was prepared by NACE Task Group T-5A-26, a component of Unit Committee T-5A on Corrosion in Chemical Processes.

  7. Presentations for Industry

    Office of Energy Efficiency and Renewable Energy (EERE)

    Learn energy-saving strategies from leading manufacturing companies and energy experts. The presentations are organized below by topic area. In addition, industrial energy managers, utilities, and...

  8. Appendix C - Industrial technologies

    SciTech Connect (OSTI)

    None, None

    2002-12-20

    This report describes the results, calculations, and assumptions underlying the GPRA 2004 Quality Metrics results for all Planning Units within the Office of Industrial Technologies.

  9. Window Industry Technology Roadmap

    SciTech Connect (OSTI)

    None, None

    2000-04-01

    The Window Industry Technology Roadmap looks at the trends in window design and installation in 2000 and projects trends for the future.

  10. Baytown Industrial Park

    SciTech Connect (OSTI)

    2005-06-01

    This is a combined heat and power (CHP) project profile on an 830 MW combined-cycle CHP application at Baytown Industrial Park in Baytown, Texas.

  11. About Industrial Distributed Energy

    Broader source: Energy.gov [DOE]

    The Advanced Manufacturing Office's (AMO's) Industrial Distributed Energy activities build on the success of predecessor DOE programs on distributed energy and combined heat and power (CHP) while...

  12. Commercial & Industrial Demand Response

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    & Events Skip navigation links Smart Grid Demand Response Agricultural Residential Demand Response Commercial & Industrial Demand Response Cross-sector Demand Response...

  13. Keystone coal industry manual

    SciTech Connect (OSTI)

    Not Available

    1993-01-01

    The 1994 Keystone Coal Industry Manual is presented. Keystone has served as the one industry reference authority for the many diverse organizations concerned with the supply and utilization of coal in the USA and Canada. Through the continuing efforts of coal producers, buyers, users, sellers, and equipment designers and manufacturers, the coal industry supplies an abundant and economical fuel that is indispensable in meeting the expanding energy needs of North America. The manual is divided into the following sections: coal sales companies, coal export, transportation of coal, consumer directories, coal associations and groups, consulting and financial firms, buyers guide, industry statistics and ownership, coal preparation, coal mine directory, and coal seams.

  14. Sustainable Nanomaterials Industry Perspective

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industry Perspective U.S. Department of Energy Advanced Manufacturing Office Sustainable ... Uses renewable resources grown with sustainable forestry practices Encourages ...

  15. Industrial Green | Jefferson Lab

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industrial Green Industrial Green Industrial Green - This giant bag may not look green, but it keeps a potent greenhouse gas from being released into the atmosphere. It's part of a system at the Free-Electron Laser that retains sulfur hexafluoride gas when it isn't being used in the FEL's gun test stand. The concept received a 2011 Virginia Governor's Environmental Excellence Program Gold Award. Industrial Green On behalf of work done by Kevin Jordan, a senior engineer in the Free-Electron Laser

  16. Users from Industry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    industrial users from large and small companies whose projects advance scientific knowledge, investigate the development of new products and manufacturing methods, andor...

  17. Midwest Industrial Energy Efficiency Handbook

    SciTech Connect (OSTI)

    2010-06-25

    This Industrial Technologies Program handbook connects industry with the various energy efficiency resources available in the midwest.

  18. Exposure Levels for Chemical Threat Compounds; Information to Facilitate Chemical Incident Response

    SciTech Connect (OSTI)

    Hauschild, Veronique; Watson, Annetta Paule

    2013-01-01

    Exposure Standards, Limits and Guidelines for Chemical Threat Compunds ABSTRACT Exposure criteria for chemical warfare (CW) agents and certain toxic industrial chemicals (TICs) used as CW agents (such as chlorine fill in an improvised explosive device) have been developed for protection of the civilian general public, civilian employees in chemical agent processing facilities and deployed military populations. In addition, compound-specific concentrations have been developed to serve as how clean is clean enough clearance criteria guiding facility recovery following chemical terrorist or other hazardous release events. Such criteria are also useful to verify compound absence, identify containment boundaries and expedite facility recovery following chemical threat release. There is no single right value or concentration appropriate for all chemical hazard control applications. It is acknowledged that locating and comparing the many sources of CW agent and TIC exposure criteria has not been previously well-defined. This paper summarizes many of these estimates and assembles critical documentation regarding their derivation and use.

  19. Industry-identified combustion research needs: Special study

    SciTech Connect (OSTI)

    Keller, J.G.; Soelberg, N.R.; Kessinger, G.F.

    1995-11-01

    This report discusses the development and demonstration of innovative combustion technologies that improve energy conservation and environmental practices in the US industrial sector. The report includes recommendations by industry on R&D needed to resolve current combustion-related problems. Both fundamental and applied R&D needs are presented. The report assesses combustion needs and suggests research ideas for seven major industries, which consume about 78% of all energy used by industry. Included are the glass, pulp and paper, refinery, steel, metal casting, chemicals, and aluminum industries. Information has been collected from manufacturers, industrial operators, trade organizations, and various funding organizations and has been supplemented with expertise at the Idaho National Engineering Laboratory to develop a list of suggested research and development needed for each of the seven industries.

  20. Review of tribological sinks in six major industries

    SciTech Connect (OSTI)

    Imhoff, C.H.; Brown, D.R.; Hane, G.J.; Hutchinson, R.A.; Erickson, R.; Merriman, T.; Gruber, T.; Barber, S.

    1985-09-01

    Friction and material wear occur throughout all industries and are involved in many processes within each industry. These conditions make assessing tribological activity overall in industry very complex and expensive. Therefore, a research strategy to obtain preliminary information on only the most significant industrial tribological sinks was defined. The industries examined were selected according to both the magnitude of overall energy consumption (particularly machine drive) and the known presence of significant tribological sinks. The six industries chosen are as follows: mining, agriculture, primary metals, chemicals/refining, food, and pulp and paper. They were reviewed to identify and characterize the major tribology sinks. It was concluded that wear losses are greater than friction losses, and that reducing wear rates would improve industrial productivity.

  1. Alginate based 3D hydrogels as an in vitro co-culture model platform for the toxicity screening of new chemical entities

    SciTech Connect (OSTI)

    Lan, Shih-Feng; Starly, Binil

    2011-10-01

    Prediction of human response to potential therapeutic drugs is through conventional methods of in vitro cell culture assays and expensive in vivo animal testing. Alternatives to animal testing require sophisticated in vitro model systems that must replicate in vivo like function for reliable testing applications. Advancements in biomaterials have enabled the development of three-dimensional (3D) cell encapsulated hydrogels as in vitro drug screening tissue model systems. In this study, we have developed an in vitro platform to enable high density 3D culture of liver cells combined with a monolayer growth of target breast cancer cell line (MCF-7) in a static environment as a representative example of screening drug compounds for hepatotoxicity and drug efficacy. Alginate hydrogels encapsulated with serial cell densities of HepG2 cells (10{sup 5}-10{sup 8} cells/ml) are supported by a porous poly-carbonate disc platform and co-cultured with MCF-7 cells within standard cell culture plates during a 3 day study period. The clearance rates of drug transformation by HepG2 cells are measured using a coumarin based pro-drug. The platform was used to test for HepG2 cytotoxicity 50% (CT{sub 50}) using commercially available drugs which further correlated well with published in vivo LD{sub 50} values. The developed test platform allowed us to evaluate drug dose concentrations to predict hepatotoxicity and its effect on the target cells. The in vitro 3D co-culture platform provides a scalable and flexible approach to test multiple-cell types in a hybrid setting within standard cell culture plates which may open up novel 3D in vitro culture techniques to screen new chemical entity compounds. - Graphical abstract: Display Omitted Highlights: > A porous support disc design to support the culture of desired cells in 3D hydrogels. > Demonstrated the co-culture of two cell types within standard cell-culture plates. > A scalable, low cost approach to toxicity screening involving

  2. Identification of chemical hazards for security risk analysis activities.

    SciTech Connect (OSTI)

    Jaeger, Calvin Dell

    2005-01-01

    The presentation outline of this paper is: (1) How identification of chemical hazards fits into a security risk analysis approach; (2) Techniques for target identification; and (3) Identification of chemical hazards by different organizations. The summary is: (1) There are a number of different methodologies used within the chemical industry which identify chemical hazards: (a) Some develop a manual listing of potential targets based on published lists of hazardous chemicals or chemicals of concern, 'expert opinion' or known hazards. (b) Others develop a prioritized list based on chemicals found at a facility and consequence analysis (offsite release affecting population, theft of material, product tampering). (2) Identification of chemical hazards should include not only intrinsic properties of the chemicals but also potential reactive chemical hazards and potential use for activities off-site.

  3. ITP Chemicals: Hybripd Separations/Distillation Technology. Research Opportunities for Energy and Emissions Reduction

    Broader source: Energy.gov [DOE]

    Energy used to drive separation processes accounts for approximately sixty percent of the total energy used by the chemical and petroleum industries.

  4. The methanol industry`s missed opportunities

    SciTech Connect (OSTI)

    Stokes, C.A.

    1995-12-31

    Throughout its history the methanol industry has been backward in research and development and in industry cooperation on public image and regulatory matters. It has been extremely reticent as to the virtue of its product for new uses, especially for motor fuel. While this is perhaps understandable looking back, it is inexcusable looking forward. The industry needs to cooperate on a worldwide basis in research and market development, on the one hand, and in image-building and political influence, on the other, staying, of course, within the US and European and other regional antitrust regulations. Unless the industry develops the motor fuel market, and especially the exciting new approach through fuel cell operated EVs, to siphon off incremental capacity and keep plants running at 90% or more of capacity, it will continue to live in a price roller-coaster climate. A few low-cost producers will do reasonably well and the rest will just get along or drop out here and there along the way, as in the past. Having come so far from such a humble beginning, it is a shame not to realize the full potential that is clearly there: a potential to nearly double sales dollars without new plants and to produce from a plentiful resource, at least for the next half-century, all the methanol that can be imagined to be needed. Beyond that the industry can turn to renewable energy--the sun--via biomass growth, to make their product. In so doing, it can perhaps apply methanol as a plant growth stimulant, in effect making the product fully self-sustainable. The world needs to know what methanol can do to provide--economically and reliably--the things upon which a better life rests.

  5. ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics, January 1999

    Office of Energy Efficiency and Renewable Energy (EERE)

    As the 21st century approaches, the chemical industry faces considerable economic, environmental and societal challenges. CFD can assist the design and optimization of new and existing processes and products.

  6. Risk assessment for the Waste Technologies Industries (WTI) hazardous waste incinerator facility (east Liverpool, Ohio). Volume 4. Atmospheric dispersion and deposition modeling of emissions. Draft report

    SciTech Connect (OSTI)

    1995-11-01

    The report constitutes a comprehensive site-specific risk assessment for the WTI incineration facility located in East Liverpool, OH. Volume IV describes the air dispersion model used to estimate air concentrations and particle deposition, as well as the results of the modeling exercise.

  7. Geothermal industry assessment

    SciTech Connect (OSTI)

    Not Available

    1980-07-01

    An assessment of the geothermal industry is presented, focusing on industry structure, corporate activities and strategies, and detailed analysis of the technological, economic, financial, and institutional issues important to government policy formulation. The study is based principally on confidential interviews with executives of 75 companies active in the field. (MHR)

  8. Uranium industry annual 1996

    SciTech Connect (OSTI)

    1997-04-01

    The Uranium Industry Annual 1996 (UIA 1996) provides current statistical data on the US uranium industry`s activities relating to uranium raw materials and uranium marketing. The UIA 1996 is prepared for use by the Congress, Federal and State agencies, the uranium and nuclear electric utility industries, and the public. Data on uranium raw materials activities for 1987 through 1996 including exploration activities and expenditures, EIA-estimated reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities for 1994 through 2006, including purchases of uranium and enrichment services, enrichment feed deliveries, uranium fuel assemblies, filled and unfilled market requirements, uranium imports and exports, and uranium inventories are shown in Chapter 2. A feature article, The Role of Thorium in Nuclear Energy, is included. 24 figs., 56 tabs.

  9. Uranium industry annual 1995

    SciTech Connect (OSTI)

    1996-05-01

    The Uranium Industry Annual 1995 (UIA 1995) provides current statistical data on the U.S. uranium industry`s activities relating to uranium raw materials and uranium marketing. The UIA 1995 is prepared for use by the Congress, Federal and State agencies, the uranium and nuclear electric utility industries, and the public. It contains data for the period 1986 through 2005 as collected on the Form EIA-858, ``Uranium Industry Annual Survey``. Data collected on the ``Uranium Industry Annual Survey`` provide a comprehensive statistical characterization of the industry`s plans and commitments for the near-term future. Where aggregate data are presented in the UIA 1995, care has been taken to protect the confidentiality of company-specific information while still conveying accurate and complete statistical data. Data on uranium raw materials activities for 1986 through 1995 including exploration activities and expenditures, EIA-estimated reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities for 1994 through 2005, including purchases of uranium and enrichment services, enrichment feed deliveries, uranium fuel assemblies, filled and unfilled market requirements, uranium imports and exports, and uranium inventories are shown in Chapter 2. The methodology used in the 1995 survey, including data edit and analysis, is described in Appendix A. The methodologies for estimation of resources and reserves are described in Appendix B. A list of respondents to the ``Uranium Industry Annual Survey`` is provided in Appendix C. For the reader`s convenience, metric versions of selected tables from Chapters 1 and 2 are presented in Appendix D along with the standard conversion factors used. A glossary of technical terms is at the end of the report. 14 figs., 56 tabs.

  10. Microfluidic chemical reaction circuits

    DOE Patents [OSTI]

    Lee, Chung-cheng; Sui, Guodong; Elizarov, Arkadij; Kolb, Hartmuth C.; Huang, Jiang; Heath, James R.; Phelps, Michael E.; Quake, Stephen R.; Tseng, Hsian-rong; Wyatt, Paul; Daridon, Antoine

    2012-06-26

    New microfluidic devices, useful for carrying out chemical reactions, are provided. The devices are adapted for on-chip solvent exchange, chemical processes requiring multiple chemical reactions, and rapid concentration of reagents.

  11. Advanced technology options for industrial heating equipment research

    SciTech Connect (OSTI)

    Jain, R.C.

    1992-10-01

    This document presents a strategy for a comprehensive program plan that is applicable to the Combustion Equipment Program of the DOE Office of Industrial Technologies (the program). The program seeks to develop improved heating equipment and advanced control techniques which, by improvements in combustion and beat transfer, will increase energy-use efficiency and productivity in industrial processes and allow the preferred use of abundant, low grade and waste domestic fuels. While the plan development strategy endeavors to be consistent with the programmatic goals and policies of the office, it is primarily governed by the needs and concerns of the US heating equipment industry. The program, by nature, focuses on energy intensive industrial processes. According to the DOE Manufacturing Energy Consumption Survey (MECS), the industrial sector in the US consumed about 21 quads of energy in 1988 in the form of coal, petroleum, natural gas and electricity. This energy was used as fuels for industrial boilers and furnaces, for agricultural uses, for construction, as feedstocks for chemicals and plastics, and for steel, mining, motors, engines and other industrial use over 75 percent of this energy was consumed to provide heat and power for manufacturing industries. The largest consumers of fuel energy were the primary metals, chemical and allied products, paper and allied products, and stone, clay and glass industry groups which accounted for about 60% of the total fuel energy consumed by the US manufacturing sector.

  12. First AEO2014 Macro-Industrial Working Group Meeting Summary

    U.S. Energy Information Administration (EIA) Indexed Site

    In comparing the AEO2014 macro industrial forecast with the AEO2013, the presenters ... on the status of ongoing process flow project, which replaces energy consumption models ...

  13. How Can China Lighten Up? Urbanization, Industrialization and Energy Demand Scenarios

    SciTech Connect (OSTI)

    Aden, Nathaniel T.; Zheng, Nina; Fridley, David G.

    2009-07-01

    Urbanization has re-shaped China's economy, society, and energy system. Between 1990 and 2007 China added 290 million new urban residents, bringing the total urbanization rate to 45%. This population adjustment spurred energy demand for construction of new buildings and infrastructure, as well as additional residential use as rural biomass was replaced with urban commercial energy services. Primary energy demand grew at an average annual rate of 10% between 2000 and 2007. Urbanization's effect on energy demand was compounded by the boom in domestic infrastructure investment, and in the export trade following World Trade Organization (WTO) accession in 2001. Industry energy consumption was most directly affected by this acceleration. Whereas industry comprised 32% of 2007 U.S. energy use, it accounted for 75% of China's 2007 energy consumption. Five sub-sectors accounted for 78% of China's industry energy use in 2007: iron and steel, energy extraction and processing, chemicals, cement, and non-ferrous metals. Ferrous metals alone accounted for 25% of industry and 18% of total primary energy use. The rapid growth of heavy industry has led China to become by far the world's largest producer of steel, cement, aluminum, and other energy-intensive commodities. However, the energy efficiency of heavy industrial production continues to lag world best practice levels. This study uses scenario analysis to quantify the impact of urbanization and trade on industrial and residential energy consumption from 2000 to 2025. The BAU scenario assumed 67% urbanization, frozen export amounts of heavy industrial products, and achievement of world best practices by 2025. The China Lightens Up (CLU) scenario assumed 55% urbanization, zero net exports of heavy industrial products, and more aggressive efficiency improvements by 2025. The five dominant industry sub-sectors were modeled in both scenarios using a LEAP energy end-use accounting model. The results of this study show that a CLU

  14. Chemical Management System

    Energy Science and Technology Software Center (OSTI)

    1998-10-30

    CMS provides an inventory of all chemicals on order or being held in the laboratory, to provide a specific location for all chemical containers, to ensure that health and safety regulatory codes are being upheld, and to provide PNNL staff with hazardous chemical information to better manage their inventories. CMS is comprised of five major modules: 1) chemical purchasing, 2) chemical inventory, 3) chemical names, properties, and hazard groups, 4) reporting, and 5) system administration.

  15. Development of specialty chemicals from dimethyl ether

    SciTech Connect (OSTI)

    Tartamella, T.L.; Lee, S.

    1996-12-31

    Dimethyl ether (DME) may be efficiently produced from coal-bases syngas in a high pressure, mechanically agitated slurry reactor. DME synthesis occurs in the liquid phase using a dual catalyst. By operating in a dual catalyst mode, DME may be converted from in-situ produced methanol resulting in higher methyl productivities and syngas conversions over methanol conversion alone. The feasibility of utilizing DME as a building block for more valuable specialty chemicals has been examined. A wide variety of petrochemicals may be produced from DME including light olefins, gasoline range hydrocarbons, oxygenates, and glycol precursors. These chemicals represent an important part of petroleum industries inventory of fine chemicals. Carbonylation, hydrocarbonylation, and oxidative dimerization are but a few of the reactions in which DME may undergo conversion. DME provides an additional route for the production of industrially important petrochemicals.

  16. CASL Industry Council Meeting

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    6 CASL Industry Council Meeting March 26-27, 2013 - Cranberry Township, PA Minutes The sixth meeting of the Industry Council (IC) for the Consortium for Advanced Simulation of Light Water Reactors (CASL) was held on March 26-27, 2013 at Westinghouse in Cranberry Township, PA. The first day of the Industry Council was chaired by John Gaertner and the second day was chaired by Heather Feldman. The meeting attendees and their affiliations are listed on Attachment 1 to these minutes. Attendance was

  17. CASL Industry Council Meeting

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industry Council Meeting 4 - 5 November 2015 Meeting Minutes The autumn 2015 meeting of the Industry Council (IC) for the Consortium for Advanced Simulation of Light Water Reactors (CASL) was held on 4 - 5 November 2015 at the Oak Ridge National Laboratory (ORNL) in Oak Ridge, TN. The first day of meeting was a joint meeting of the CASL Industry and Science Councils and was held at the Spallation Neutron Source (SNS) facility at ORNL. An independent IC meeting was held the morning of the second

  18. Chemical & Engineering News

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ARPA-E Basic Energy Sciences Materials Sciences and Engineering Chemical Sciences ... SunShot Grand Challenge: Regional Test Centers Chemical & Engineering News Home...

  19. Chemical Kinetics Research on HCCI and Diesel Fuels

    Broader source: Energy.gov [DOE]

    Discusses detailed chemical kinetics mechanisms for complex hydrocarbon fuels and computationally efficiecnt, accurate methodologies for modeling advanced combustion strategies.

  20. Advanced Industrial Materials (AIM) Program annual progress report, FY 1997

    SciTech Connect (OSTI)

    1998-05-01

    The Advanced Industrial Materials (AIM) Program is a part of the Office of Industrial Technologies (OIT), Energy Efficiency and Renewable Energy, US Department of Energy (DOE). The mission of AIM is to support development and commercialization of new or improved materials to improve energy efficiency, productivity, product quality, and reduced waste in the major process industries. OIT has embarked on a fundamentally new way of working with industries--the Industries of the Future (IOF) strategy--concentrating on the major process industries that consume about 90% of the energy and generate about 90% of the waste in the industrial sector. These are the aluminum, chemical, forest products, glass, metalcasting, and steel industries. OIT has encouraged and assisted these industries in developing visions of what they will be like 20 or 30 years into the future, defining the drivers, technology needs, and barriers to realization of their visions. These visions provide a framework for development of technology roadmaps and implementation plans, some of which have been completed. The AIM Program supports IOF by conducting research and development on materials to solve problems identified in the roadmaps. This is done by National Laboratory/industry/university teams with the facilities and expertise needed to develop new and improved materials. Each project in the AIM Program has active industrial participation and support.

  1. Caraustar Industries Energy Assessment

    SciTech Connect (OSTI)

    2010-06-25

    This plant-wide assessment case study is about commissioned energy assessments by the U.S. Department of Energy Industrial Technologies Program at two of Caraustar's recycled paperboard mills.

  2. Presentations for Industry

    Office of Energy Efficiency and Renewable Energy (EERE)

    Industrial energy managers, utilities, and energy management professionals can find online trainings and information dissemination at no-cost. AMO has provided these energy-saving strategies from leading manufacturing companies and energy experts through several different presentation series.

  3. Uranium Industry Annual, 1992

    SciTech Connect (OSTI)

    Not Available

    1993-10-28

    The Uranium Industry Annual provides current statistical data on the US uranium industry for the Congress, Federal and State agencies, the uranium and electric utility industries, and the public. The feature article, ``Decommissioning of US Conventional Uranium Production Centers,`` is included. Data on uranium raw materials activities including exploration activities and expenditures, resources and reserves, mine production of uranium, production of uranium concentrate, and industry employment are presented in Chapter 1. Data on uranium marketing activities including domestic uranium purchases, commitments by utilities, procurement arrangements, uranium imports under purchase contracts and exports, deliveries to enrichment suppliers, inventories, secondary market activities, utility market requirements, and uranium for sale by domestic suppliers are presented in Chapter 2.

  4. Steel Industry Profile

    Broader source: Energy.gov [DOE]

    The steel industry is critical to the U.S. economy. Steel is the material of choice for many elements of manufacturing, construction, transportation, and various consumer products. Traditionally...

  5. Macro Industrial Working Group

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    ... 22 Industrial Team Washington DC, September 29, 2014 Macro Team: Kay Smith (lead) (202) 586-1132 | kay.smith@eia.gov Vipin Arora (202) 586-1048 | vipin.arora@eia.gov Russell ...

  6. Institute of Chemical Engineering and High Temperature Chemical...

    Open Energy Info (EERE)

    Chemical Engineering and High Temperature Chemical Processes ICEHT Jump to: navigation, search Name: Institute of Chemical Engineering and High Temperature Chemical Processes...

  7. Industrial Fuel Flexibility Workshop

    SciTech Connect (OSTI)

    none,

    2006-09-01

    On September 28, 2006, in Washington, DC, ITP and Booz Allen Hamilton conducted a fuel flexibility workshop with attendance from various stakeholder groups. Workshop participants included representatives from the petrochemical, refining, food and beverage, steel and metals, pulp and paper, cement and glass manufacturing industries; as well as representatives from industrial boiler manufacturers, technology providers, energy and waste service providers, the federal government and national laboratories, and developers and financiers.

  8. Industrial Energy Efficiency

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Barriers to Industrial Energy Efficiency Report to Congress June 2015 United States Department of Energy Washington, DC 20585 Department of Energy | June 2015 Message from the Assistant Secretary The industrial sector has shown steady progress in improving energy efficiency over the past few decades and energy efficiency improvements are expected to continue. Studies suggest, however, that there is potential to accelerate the rate of adopting energy efficient technologies and practices that

  9. Industrial Energy Efficiency Assessments

    Broader source: Energy.gov (indexed) [DOE]

    Department of Energy Sandina Ponte, a member of the University of Missouri's Industrial Assessment Center, inspects equipment at a manufacturing facility during an energy audit. | Photo courtesy of University of Missouri IAC. Sandina Ponte, a member of the University of Missouri's Industrial Assessment Center, inspects equipment at a manufacturing facility during an energy audit. | Photo courtesy of University of Missouri IAC. Cassie Mills Communications Associate in the Advanced

  10. CASL Industry Council Members:

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CASL Industry Council Members: We are looking forward to hosting you at the upcoming CASL Industry Council Meeting on Tuesday, April 12, 2016 through Wednesday, April 13, 2016 at the following location: ALOFT Greenville Downtown Converge Conference Room 5 North Laurens Street Greenville, SC 29601 864-297-6100 Meeting Contact: Lorie Fox (865) 548-5178 Lodging: ALOFT Greenville Downtown: http://www.aloftgreenvilledowntown.com/ Hotel Information * Check-in time: 4 PM * Checkout time: 12 PM * Fast

  11. Multimedia regulated chemicals

    SciTech Connect (OSTI)

    Lee, C.C.; Huffman, G.L.; Mao, Y.L.

    1999-10-01

    This article examines those chemicals that are listed in either environmental laws or regulations. Its objective is to help readers determine which laws regulate what types of chemicals and which types of chemicals are regulated by what laws. It is multimedia in scope, describing the various chemicals that are regulated in the different media (i.e., air, water, or land).

  12. Chemical Management Contacts

    Broader source: Energy.gov [DOE]

    Contacts for additional information on Chemical Management and brief description on Energy Facility Contractors Group

  13. DuPont Chemical Vapor Technical Report

    SciTech Connect (OSTI)

    MOORE, T.L.

    2003-10-03

    DuPont Safety Resources was tasked with reviewing the current chemical vapor control practices and providing preventive recommendations on best commercial techniques to control worker exposures. The increased focus of the tank closure project to meet the 2024 Tri-Party Agreement (TPA) milestones has surfaced concerns among some CH2MHill employees and other interested parties. CH2MHill is committed to providing a safe working environment for employees and desires to safely manage the tank farm operations using appropriate control measures. To address worker concerns, CH2MHill has chartered a ''Chemical Vapors Project'' to integrate the activities of multiple CH2MHill project teams, and solicit the expertise of external resources, including an independent Industrial Hygiene expert panel, a communications consultant, and DuPont Safety Resources. Over a three-month time period, DuPont worked with CH2MHill ESH&Q, Industrial Hygiene, Engineering, and the independent expert panel to perform the assessment. The process included overview presentations, formal interviews, informal discussions, documentation review, and literature review. DuPont Safety Resources concluded that it is highly unlikely that workers in the tank farms are exposed to chemicals above established standards. Additionally, the conventional and radiological chemistry is understood, the inherent chemical hazards are known, and the risk associated with chemical vapor exposure is properly managed. The assessment highlighted management's commitment to addressing chemical vapor hazards and controlling the associated risks. Additionally, we found the Industrial Hygiene staff to be technically competent and well motivated. The tank characterization data resides in a comprehensive database containing the tank chemical compositions and relevant airborne concentrations.

  14. Energy Savings from Industrial Water Reductions

    SciTech Connect (OSTI)

    Rao, Prakash; McKane, Aimee; de Fontaine, Andre

    2015-08-03

    Although it is widely recognized that reducing freshwater consumption is of critical importance, generating interest in industrial water reduction programs can be hindered for a variety of reasons. These include the low cost of water, greater focus on water use in other sectors such as the agriculture and residential sectors, high levels of unbilled and/or unregulated self-supplied water use in industry, and lack of water metering and tracking capabilities at industrial facilities. However, there are many additional components to the resource savings associated with reducing site water use beyond the water savings alone, such as reductions in energy consumption, greenhouse gas emissions, treatment chemicals, and impact on the local watershed. Understanding and quantifying these additional resource savings can expand the community of businesses, NGOs, government agencies, and researchers with a vested interest in water reduction. This paper will develop a methodology for evaluating the embedded energy consumption associated with water use at an industrial facility. The methodology developed will use available data and references to evaluate the energy consumption associated with water supply and wastewater treatment outside of a facility’s fence line for various water sources. It will also include a framework for evaluating the energy consumption associated with water use within a facility’s fence line. The methodology will develop a more complete picture of the total resource savings associated with water reduction efforts and allow industrial water reduction programs to assess the energy and CO2 savings associated with their efforts.

  15. Engineered Barrier System: Physical and Chemical Environment

    SciTech Connect (OSTI)

    P. Dixon

    2004-04-26

    The conceptual and predictive models documented in this Engineered Barrier System: Physical and Chemical Environment Model report describe the evolution of the physical and chemical conditions within the waste emplacement drifts of the repository. The modeling approaches and model output data will be used in the total system performance assessment (TSPA-LA) to assess the performance of the engineered barrier system and the waste form. These models evaluate the range of potential water compositions within the emplacement drifts, resulting from the interaction of introduced materials and minerals in dust with water seeping into the drifts and with aqueous solutions forming by deliquescence of dust (as influenced by atmospheric conditions), and from thermal-hydrological-chemical (THC) processes in the drift. These models also consider the uncertainty and variability in water chemistry inside the drift and the compositions of introduced materials within the drift. This report develops and documents a set of process- and abstraction-level models that constitute the engineered barrier system: physical and chemical environment model. Where possible, these models use information directly from other process model reports as input, which promotes integration among process models used for total system performance assessment. Specific tasks and activities of modeling the physical and chemical environment are included in the technical work plan ''Technical Work Plan for: In-Drift Geochemistry Modeling'' (BSC 2004 [DIRS 166519]). As described in the technical work plan, the development of this report is coordinated with the development of other engineered barrier system analysis model reports.

  16. PINS chemical identification software

    DOE Patents [OSTI]

    Caffrey, Augustine J.; Krebs, Kennth M.

    2004-09-14

    An apparatus and method for identifying a chemical compound. A neutron source delivers neutrons into the chemical compound. The nuclei of chemical elements constituting the chemical compound emit gamma rays upon interaction with the neutrons. The gamma rays are characteristic of the chemical elements constituting the chemical compound. A spectrum of the gamma rays is generated having a detection count and an energy scale. The energy scale is calibrated by comparing peaks in the spectrum to energies of pre-selected chemical elements in the spectrum. A least-squares fit completes the calibration. The chemical elements constituting the chemical compound can be readily determined, which then allows for identification of the chemical compound.

  17. In vitro-in vivo extrapolation of quantitative hepatic biotransformation data for fish - I. A review of methods, and strategies for incorporating intrinsic clearance estimates into chemical kinetic models

    SciTech Connect (OSTI)

    Nichols, John W.; Schultz, Irv R.; Fitzsimmons, Patrick N..

    2006-06-10

    Mammalian researchers have developed a stepwise approach to predict in vivo hepatic clearance from measurements of in vitro hepatic metabolism. The resulting clearance estimates have been used to screen drug candidates, identify potential drug-drug interactions, investigate idiosyncratic drug responses, and support toxicology risk assessments. In this report we review these methods, discuss their potential application to studies with fish, and describe how extrapolated values could be incorporated into well-known compartmental kinetic models. Empirical equations that relate extrapolation factors to chemical log Kow are given to facilitate the incorporation of metabolism data into bioconcentration and bioaccumulation models. Because they explicitly incorporate the concept of clearance, compartmental clearance volume models are particularly well suited for incorporating hepatic clearance estimates. The manner in which these clearance values are incorporated into a given model depends, however, on the measurement frame of reference. Procedures for the incorporation of in vitro metabolism data into physiologically based toxicokinetic (PBTK) models are also described. Unlike most compartmental models, PBTK models are developed to describe the effects of metabolism in the tissue where it occurs. In addition, PBTK models are well suited to modeling metabolism in more than one tissue.

  18. Science, technology, and the industrialization of laser-driven processes

    SciTech Connect (OSTI)

    Davis, J.I.; Paisner, J.A.

    1985-05-01

    Members of the laser program at Lawrence Livermore National Laboratory (LLNL) reviewed potential applications of lasers in industry, some of which are: isotope separation; cleanup of radioactive waste; trace impurity removal; selective chemical reactions; photochemical activation or dissociation of gases; control of combustion particulates; crystal and powder chemistry; and laser induced biochemistry. Many of these areas are currently under active study in the community. The investigation at LLNL focused on laser isotope separation of atomic uranium because of the large demand (> 1000 tonnes/year) and high product enrichment price (> $600/kg of product) for material used as fuel in commercial light-water nuclear power reactors. They also believed that once the technology was fully developed and deployed, it could be applied directly to separating many elements economically on an industrial scale. The Atomic Vapor Laser Isotope Separation (AVLIS) program at LLNL has an extensive uranium and plutonium program of >$100 M in FY85 and a minor research program for other elements. This report describes the AVLIS program conducted covering the following topics; candidate elements; separative work units; spectroscopic selectivety; major systems; facilities; integrated process model;multivariable sensitivety studies; world market; and US enrichment enterprise. 23 figs. (AT)

  19. Chemical decontamination technical resources at Los Alamos National Laboratory (2008)

    SciTech Connect (OSTI)

    Moore, Murray E

    2008-01-01

    This document supplies information resources for a person seeking to create planning or pre-planning documents for chemical decontamination operations. A building decontamination plan can be separated into four different sections: Pre-planning, Characterization, Decontamination (Initial response and also complete cleanup), and Clearance. Of the identified Los Alamos resources, they can be matched with these four sections: Pre-planning -- Dave Seidel, EO-EPP, Emergency Planning and Preparedness; David DeCroix and Bruce Letellier, D-3, Computational fluids modeling of structures; Murray E. Moore, RP-2, Aerosol sampling and ventilation engineering. Characterization (this can include development projects) -- Beth Perry, IAT-3, Nuclear Counterterrorism Response (SNIPER database); Fernando Garzon, MPA-11, Sensors and Electrochemical Devices (development); George Havrilla, C-CDE, Chemical Diagnostics and Engineering; Kristen McCabe, B-7, Biosecurity and Public Health. Decontamination -- Adam Stively, EO-ER, Emergency Response; Dina Matz, IHS-IP, Industrial hygiene; Don Hickmott, EES-6, Chemical cleanup. Clearance (validation) -- Larry Ticknor, CCS-6, Statistical Sciences.

  20. Macro-Industrial Working Group 2

    Gasoline and Diesel Fuel Update (EIA)

    projections - Macroeconomic driven: chemical shipmentsproduction - Feedstock price ... efficiency improvements * Macroeconomic chemical drivers: bulk chemicals (organic, ...

  1. Industry Cluster Development Grant winners

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Industry Cluster Development Grant winners Community Connections: Your link to news and ... All Issues submit Industry Cluster Development Grant winners Recipients include Picuris ...

  2. Eolica Industrial | Open Energy Information

    Open Energy Info (EERE)

    Industrial Jump to: navigation, search Name: Eolica Industrial Place: Sao Paulo, Sao Paulo, Brazil Zip: 01020-901 Sector: Wind energy Product: Brazil based wind turbine steel...

  3. Jumpstarting the carbon capture industry

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Jumpstarting the carbon capture industry: Science on the Hill Jumpstarting the carbon capture industry: Science on the Hill Carbon capture, utilization, and storage can provide a...

  4. Agile Biomanufacturing Industry Listening Workshop

    Broader source: Energy.gov [DOE]

    A consortium of nine national laboratories is holding the Agile Biomanufacturing Industry Listening Workshop on March 15, 2016 in Berkeley, California, to increase understanding of industry needs...

  5. Guardian Industries | Open Energy Information

    Open Energy Info (EERE)

    Industries Jump to: navigation, search Name: Guardian Industries Place: Auburn Hills, MI Website: www.guardian.com References: Results of NREL Testing (Glass Magazine)1 Guardian...

  6. Assessing ecological risks within a highly industrialized estuary

    SciTech Connect (OSTI)

    Bonnevie, N.L.; Iannuzzi, T.J.; Harman, C.H.

    1995-12-31

    Ecological assessment (EA) was conducted for a landfill located along an industrialized river within the NY/NJ Harbor Estuary. This estuary has been subjected to intense industrial and urban development throughout the past two centuries, resulting in alterations to the Site and regional ecology. For these reasons, consideration was given to the local and regional setting, and the relatively low quantity and degraded quality of habitats that exist in proximity to the Site. The EA focused on two ecological receptor groups: (1) aquatic receptors (i.e., benthic invertebrates and small forage fish) exposed primarily through direct contact with sediments and surface water; and (2) piscivorous species (i.e., great blue heron) for whom exposure is the result of trophic transfer through dietary intakes. Estimates of accumulation in prey species of the great blue heron were derived using a simplified food web model to predict trophic transfer. The primary chemicals of potential ecological concern (COPEC) included arsenic, selenium, mercury, as well as PCBs. Based on the results of this assessment, risk to piscivorous wildlife are very low; derived hazard quotients (HQ) were below one for all COPEC. HQ greater than one were observed for direct exposures to aquatic receptors, however, the HQ determined for exposures at the Site were generally within the range of those reported for sediments and surface waters throughout the NY/NJ Harbor Estuary. In addition, numerous non-chemical stressors were identified that likely significantly affect the health and abundance of aquatic organisms. For these reasons, the Site was determined not to contribute an increased risk to ecological receptors above a regional level.

  7. On-line coating of glass with tin oxide by atmospheric pressure chemical vapor deposition.

    SciTech Connect (OSTI)

    Allendorf, Mark D.; Sopko, J.F. (PPF Industries, Pittsburgh, PA); Houf, William G.; Chae, Yong Kee; McDaniel, Anthony H.; Li, M. (PPF Industries, Pittsburgh, PA); McCamy, J.W.

    2006-11-01

    Atmospheric pressure chemical vapor deposition (APCVD) of tin oxide is a very important manufacturing technique used in the production of low-emissivity glass. It is also the primary method used to provide wear-resistant coatings on glass containers. The complexity of these systems, which involve chemical reactions in both the gas phase and on the deposition surface, as well as complex fluid dynamics, makes process optimization and design of new coating reactors a very difficult task. In 2001 the U.S. Dept. of Energy Industrial Technologies Program Glass Industry of the Future Team funded a project to address the need for more accurate data concerning the tin oxide APCVD process. This report presents a case study of on-line APCVD using organometallic precursors, which are the primary reactants used in industrial coating processes. Research staff at Sandia National Laboratories in Livermore, CA, and the PPG Industries Glass Technology Center in Pittsburgh, PA collaborated to produce this work. In this report, we describe a detailed investigation of the factors controlling the growth of tin oxide films. The report begins with a discussion of the basic elements of the deposition chemistry, including gas-phase thermochemistry of tin species and mechanisms of chemical reactions involved in the decomposition of tin precursors. These results provide the basis for experimental investigations in which tin oxide growth rates were measured as a function of all major process variables. The experiments focused on growth from monobutyltintrichloride (MBTC) since this is one of the two primary precursors used industrially. There are almost no reliable growth-rate data available for this precursor. Robust models describing the growth rate as a function of these variables are derived from modeling of these data. Finally, the results are used to conduct computational fluid dynamic simulations of both pilot- and full-scale coating reactors. As a result, general conclusions are

  8. Breakthrough Industrial Carbon Capture, Utilization and Storage Project

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Begins Full-Scale Operations | Department of Energy Industrial Carbon Capture, Utilization and Storage Project Begins Full-Scale Operations Breakthrough Industrial Carbon Capture, Utilization and Storage Project Begins Full-Scale Operations May 10, 2013 - 11:36am Addthis NEWS MEDIA CONTACT (202) 586-4940 WASHINGTON - The Energy Department's Acting Assistant Secretary for Fossil Energy Christopher Smith today attended a dedication ceremony at the Air Products and Chemicals hydrogen production

  9. Device for collecting chemical compounds and related methods

    DOE Patents [OSTI]

    Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

    2013-01-01

    A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from the fixed surfaces so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

  10. Micropyrolyzer for chemical analysis of liquid and solid samples

    DOE Patents [OSTI]

    Mowry, Curtis D.; Morgan, Catherine H.; Manginell, Ronald P.; Frye-Mason, Gregory C.

    2006-07-18

    A micropyrolyzer has applications to pyrolysis, heated chemistry, and thermal desorption from liquid or solid samples. The micropyrolyzer can be fabricated from semiconductor materials and metals using standard integrated circuit technologies. The micropyrolyzer enables very small volume samples of less than 3 microliters and high sample heating rates of greater than 20.degree. C. per millisecond. A portable analyzer for the field analysis of liquid and solid samples can be realized when the micropyrolyzer is combined with a chemical preconcentrator, chemical separator, and chemical detector. Such a portable analyzer can be used in a variety of government and industrial applications, such as non-proliferation monitoring, chemical and biological warfare detection, industrial process control, water and air quality monitoring, and industrial hygiene.

  11. Modeling

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ... Limited clean water supplies face further stress due to its required use in a number of industrial processes. Reverse osmosis (RO) is currently the best method of desalination ...

  12. Clean Energy Manufacturing Initiative Industrial Efficiency and...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industrial Efficiency and Energy Productivity Video Clean Energy Manufacturing Initiative Industrial Efficiency and Energy Productivity Video Addthis Description Industrial ...

  13. Industrial Energy Efficiency Assessments | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industrial Energy Efficiency Assessments Industrial Energy Efficiency Assessments Details about the Industrial Energy Efficiency Assessments program and its implementation in...

  14. Emulsified industrial oils recycling

    SciTech Connect (OSTI)

    Gabris, T.

    1982-04-01

    The industrial lubricant market has been analyzed with emphasis on current and/or developing recycling and re-refining technologies. This task has been performed for the United States and other industrialized countries, specifically France, West Germany, Italy and Japan. Attention has been focused at emulsion-type fluids regardless of the industrial application involved. It was found that emulsion-type fluids in the United States represent a much higher percentage of the total fluids used than in other industrialized countries. While recycling is an active matter explored by the industry, re-refining is rather a result of other issues than the mere fact that oil can be regenerated from a used industrial emulsion. To extend the longevity of an emulsion is a logical step to keep expenses down by using the emulsion as long as possible. There is, however, another important factor influencing this issue: regulations governing the disposal of such fluids. The ecological question, the respect for nature and the natural balances, is often seen now as everybody's task. Regulations forbid dumping used emulsions in the environment without prior treatment of the water phase and separation of the oil phase. This is a costly procedure, so recycling is attractive since it postpones the problem. It is questionable whether re-refining of these emulsions - as a business - could stand on its own if these emulsions did not have to be taken apart for disposal purposes. Once the emulsion is separated into a water and an oil phase, however, re-refining of the oil does become economical.

  15. When is the "Day of Reckoning" and How Will the Industry Respond...

    U.S. Energy Information Administration (EIA) Indexed Site

    ... and technology - Policies impacting costs, access, demand will influence future ... Exxon * Industry studiesanalysis, forecasting, modeling * Leads Outlook team * ...

  16. Solar industrial process heat

    SciTech Connect (OSTI)

    Lumsdaine, E.

    1981-04-01

    The aim of the assessment reported is to candidly examine the contribution that solar industrial process heat (SIPH) is realistically able to make in the near and long-term energy futures of the United States. The performance history of government and privately funded SIPH demonstration programs, 15 of which are briefly summarized, and the present status of SIPH technology are discussed. The technical and performance characteristics of solar industrial process heat plants and equipment are reviewed, as well as evaluating how the operating experience of over a dozen SIPH demonstration projects is influencing institutional acceptance and economoc projections. Implications for domestic energy policy and international implications are briefly discussed. (LEW)

  17. UAIEE and Industrial Assessment Centers

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    55-62011| Industrial Assessment Centers * Started in 1976 * Currently 26 Centers across the US * Almost...

  18. Industry Partners Panel

    Office of Energy Efficiency and Renewable Energy (EERE)

    Industry Panel presenters include: Michael G. Andrew, Director - Academic and Technical Programs, Advanced Products and Materials, Johnson Controls Power Solutions Michael A. Fetcenko, Vice President and Managing Director, BASF Battery Materials – Ovonic, BASF Corporation Adam Kahn, Founder and CEO, AKHAN Technologies, Inc. Stephen E. Zimmer, Executive Director, United States Council for Automotive Research (USCAR)

  19. INTERMOUNTAIN INDUSTRIAL ASSESSMENT CENTER

    SciTech Connect (OSTI)

    MELINDA KRAHENBUHL

    2010-05-28

    The U. S. Department of Energy’s Intermountain Industrial Assessment Center (IIAC) at the University of Utah has been providing eligible small- and medium-sized manufacturers with no-cost plant assessments since 2001, offering cost-effective recommendations for improvements in the areas of energy efficiency, pollution prevention, and productivity improvement.

  20. Petroleum industry in Iran

    SciTech Connect (OSTI)

    Farideh, A.

    1981-01-01

    This study examines the oil industry in Iran from the early discovery of oil nearly two hundred years ago in Mazandaran (north part) to the development of a giant modern industry in the twentieth century. Chapter I presents a brief historical setting to introduce the reader to the importance of oil in Iran. It focuses on the economic implications of the early oil concessions in the period 1901 to 1951. Chapter II discusses the nationalization of the Iranian oil industry and creation of NIOC in 1951 and the international political and economic implication of these activities. Chapter III explains the activities of NIOC in Iran. Exploration and drilling, production, exports, refineries, natural gas, petrochemicals and internal distributions are studied. Chapter IV discusses the role of the development planning of Iran. A brief presentation of the First Development Plan through the Fifth Development Plan is given. Sources and uses of funds by plan organization during these Five Plans is studied. The Iran and Iraq War is also studied briefly, but the uncertainty of its resolution prevents any close analysis of its impact on the Iranian oil industry. One conclusion, however, is certain; oil has been a vital resource in Iran's past and it will remain the lifetime of its economic development in the future.

  1. Communication: Ro-vibrational control of chemical reactivity in H+CH{sub 4}→ H{sub 2}+CH{sub 3} : Full-dimensional quantum dynamics calculations and a sudden model

    SciTech Connect (OSTI)

    Welsch, Ralph Manthe, Uwe

    2014-08-07

    The mode-selective chemistry of the title reaction is studied by full-dimensional quantum dynamics simulation on an accurate ab initio potential energy surface for vanishing total angular momentum. Using a rigorous transition state based approach and multi-configurational time-dependent Hartree wave packet propagation, initial state-selected reaction probabilities for many ro-vibrational states of methane are calculated. The theoretical results are compared with experimental trends seen in reactions of methane. An intuitive interpretation of the ro-vibrational control of the chemical reactivity provided by a sudden model based on the quantum transition state concept is discussed.

  2. Capacitive chemical sensor

    DOE Patents [OSTI]

    Manginell, Ronald P; Moorman, Matthew W; Wheeler, David R

    2014-05-27

    A microfabricated capacitive chemical sensor can be used as an autonomous chemical sensor or as an analyte-sensitive chemical preconcentrator in a larger microanalytical system. The capacitive chemical sensor detects changes in sensing film dielectric properties, such as the dielectric constant, conductivity, or dimensionality. These changes result from the interaction of a target analyte with the sensing film. This capability provides a low-power, self-heating chemical sensor suitable for remote and unattended sensing applications. The capacitive chemical sensor also enables a smart, analyte-sensitive chemical preconcentrator. After sorption of the sample by the sensing film, the film can be rapidly heated to release the sample for further analysis. Therefore, the capacitive chemical sensor can optimize the sample collection time prior to release to enable the rapid and accurate analysis of analytes by a microanalytical system.

  3. Industrial cogeneration optimization program. Final report, September 1979

    SciTech Connect (OSTI)

    Davis, Jerry; McWhinney, Jr., Robert T.

    1980-01-01

    This study program is part of the DOE Integrated Industry Cogeneration Program to optimize, evaluate, and demonstrate cogeneration systems, with direct participation of the industries most affected. One objective is to characterize five major energy-intensive industries with respect to their energy-use profiles. The industries are: petroleum refining and related industries, textile mill products, paper and allied products, chemicals and allied products, and food and kindred products. Another objective is to select optimum cogeneration systems for site-specific reference case plants in terms of maximum energy savings subject to given return on investment hurdle rates. Analyses were made that define the range of optimal cogeneration systems for each reference-case plant considering technology applicability, economic factors, and energy savings by type of fuel. This study also provides guidance to other parts of the program through information developed with regard to component development requirements, institutional and regulatory barriers, as well as fuel use and environmental considerations. (MCW)

  4. 2. Chemical Kinetics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    1 Lecture) Chung K. Law Robert H. Goddard Professor Princeton University Princeton-CEFRC-Combustion Institute Summer School on Combustion June 20-24, 2016 1 Day 1: Chemical Thermodynamics and Kinetics 1. Chemical Thermodynamics * Chemical equilibrium * Energy conservation & adiabatic flame temp., T ad 2. Chemical Kinetics * Reaction rates and approximations * Theories of reaction rates * Straight and branched chain reactions 3. Oxidation Mechanisms of Fuels * Hydrogen, CO, hydrocarbons 2 1.

  5. Chemical Hydrogen Storage Materials

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Troy A. Semelsberger Los Alamos National Laboratory Hydrogen Storage Summit Jan 27-29, 2015 Denver, CO Chemical Hydrogen Storage Materials 2 Objectives 1. Assess chemical hydrogen storage materials that can exceed 700 bar compressed hydrogen tanks 2. Status (state-of-the-art) of chemical hydrogen storage materials 3. Identify key material characteristics 4. Identify obstacles, challenges and risks for the successful deployment of chemical hydrogen materials in a practical on-board hydrogen

  6. Conducting polymers: Synthesis and industrial applications

    SciTech Connect (OSTI)

    Gottesfeld, S.

    1997-04-01

    The Conducting Polymer project funded by the AIM Program has developed new methods for the synthesis of conducting polymers and evaluated new industrial applications for these materials which will result in significant reductions in energy usage or industrial waste. The applications specifically addressed during FY 1996 included two ongoing efforts on membranes for gas separation and on electrochemical capacitors and a third new application: electrochemical reactors (ECRs) based on polymeric electrolytes. As a gas separation membrane, conducting polymers offer high selectivity and the potential to chemically or electrically adapt the membrane for specific gas combinations. Potential energy savings in the US for this application are estimated at 1 to 3 quads/yr. As an active material in electrochemical capacitors, electronically conducting polymers have the potential of storing large amounts of electric energy in low cost materials. Potential energy savings estimated at 1 quad/yr would result from introduction of electrochemical capacitors as energy storage devices in power trains of electric and hybrid vehicles, once such vehicles reach 20% of the total transportation market in the US. In the chlor-alkali industry, electrochemical reactors based on polymer electrolyte membranes consume around 1 % of the total electric power in the US. A new activity, started in FY 1996, is devoted to energy efficient ECRs. In the case of the chlor-alkali industry, energy savings as high as 50% seem possible with the novel ECR technology demonstrated by the author in 1996.

  7. Chemically synthesized gold nanoparticles embedded in a SiO{sub 2} matrix: A model system to give insights into nucleation and growth under irradiation

    SciTech Connect (OSTI)

    Rizza, G.; Ramjauny, Y.; Gacoin, T.; Vieille, L.; Henry, S.

    2007-12-15

    The control over the size and the dispersion of the ion beam-synthesized nanoparticles is generally poor. This is partially due to the scarce knowledge of the behavior of the precipitate phase in the first stages of the nucleation and growth processes. To overcome this difficulty, we explore the formation and growth under MeV ion irradiation of satellites clusters around chemically synthesized Au particles embedded in a silica matrix. Our results show that the satellites evolve in an Ostwald ripening regime limited by the diffusion in an open system. In addition, the complete evolution of the gold supersaturation is obtained and the temporal window for the nucleation regime is determined. It allows us to give a guideline method to improve the control of the particles monodispersity during the ion beam synthesis. Moreover, an estimation of the threshold concentration for nucleation, an effective value for the surface tension of the Au nanoparticles and the gold diffusivity under irradiation are given.

  8. Chemical Transformation - Joint Center for Energy Storage Research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical Transformation A second energy storage concept being pursued by JCESR is chemical transformation. This concept involves replacement of intercalation of the working ion at the anode and cathode with higher energy chemical bonds. Chemical transformation research is focused on replacing conventional intercalation of the working ion at the cathode with a true chemical reaction. On the basis of techno-economic modeling of the possible battery systems, we have chosen to focus our efforts on a

  9. Chemical Safety Vulnerability Working Group report. Volume 3

    SciTech Connect (OSTI)

    Not Available

    1994-09-01

    The Chemical Safety Vulnerability (CSV) Working Group was established to identify adverse conditions involving hazardous chemicals at DOE facilities that might result in fires or explosions, release of hazardous chemicals to the environment, or exposure of workers or the public to chemicals. A CSV Review was conducted in 148 facilities at 29 sites. Eight generic vulnerabilities were documented related to: abandoned chemicals and chemical residuals; past chemical spills and ground releases; characterization of legacy chemicals and wastes; disposition of legacy chemicals; storage facilities and conditions; condition of facilities and support systems; unanalyzed and unaddressed hazards; and inventory control and tracking. Weaknesses in five programmatic areas were also identified related to: management commitment and planning; chemical safety management programs; aging facilities that continue to operate; nonoperating facilities awaiting deactivation; and resource allocations. Volume 3 consists of eleven appendices containing the following: Field verification reports for Idaho National Engineering Lab., Rocky Flats Plant, Brookhaven National Lab., Los Alamos National Lab., and Sandia National Laboratories (NM); Mini-visits to small DOE sites; Working Group meeting, June 7--8, 1994; Commendable practices; Related chemical safety initiatives at DOE; Regulatory framework and industry initiatives related to chemical safety; and Chemical inventory data from field self-evaluation reports.

  10. Agile Biomanufacturing Industry Listening Workshop

    Broader source: Energy.gov [DOE]

    A consortium of nine national labs is excited to announce the Agile Biomanufacturing Industry Listening Workshop on March 15, 2016 in Berkeley, CA. Lawrence Berkeley National Lab, Ames National Lab, Argonne National Lab, Idaho National Lab, Los Alamos National Lab, the National Renewable Energy Lab, Oak Ridge National Lab, Pacific Northwest National Lab, and Sandia National Labs seek to build an agile biomanufacturing platform for biological approaches to produce advanced biofuels, renewable chemicals, and materials that represent low greenhouse gas alternatives to molecules currently derived from petroleum. The labs envision a distributed Agile Biomanufacturing consortium that includes a Foundry to productionize the design-build-test-learn cycle for engineering biology while incorporating process integration, predictable scaling, and techno-economic analyses and life cycle assessments for bioprocess design. The DOE National Laboratories have built deep and unique capabilities that can be brought to bear to build powerful infrastructure and scientific engineering activities that will render design and implementation of new bio-based products scalable, predictable, and more cost-effective. An agile biomanufacturing platform will enable companies, national labs, and universities to develop biological processes efficiently and with reduced risk to create products with better performance than their predecessors.

  11. Making Industry Part of the Climate Solution

    SciTech Connect (OSTI)

    Lapsa, Melissa Voss; Brown, Dr. Marilyn Ann; Jackson, Roderick K; Cox, Matthew; Cortes, Rodrigo; Deitchman, Benjamin H

    2011-06-01

    Improving the energy efficiency of industry is essential for maintaining the viability of domestic manufacturing, especially in a world economy where production is shifting to low-cost, less regulated developing countries. Numerous studies have shown the potential for significant cost-effective energy-savings in U.S. industries, but the realization of this potential is hindered by regulatory, information, workforce, and financial obstacles. This report evaluates seven federal policy options aimed at improving the energy efficiency of industry, grounded in an understanding of industrial decision-making and the barriers to efficiency improvements. Detailed analysis employs the Georgia Institute of Technology's version of the National Energy Modeling System and spreadsheet calculations, generating a series of benefit/cost metrics spanning private and public costs and energy bill savings, as well as air pollution benefits and the social cost of carbon. Two of the policies would address regulatory hurdles (Output-Based Emissions Standards and a federal Energy Portfolio Standard with Combined Heat and Power); three would help to fill information gaps and workforce training needs (the Superior Energy Performance program, Implementation Support Services, and a Small Firm Energy Management program); and two would tackle financial barriers (Tax Lien Financing and Energy-Efficient Industrial Motor Rebates). The social benefit-cost ratios of these policies appear to be highly favorable based on a range of plausible assumptions. Each of the seven policy options has an appropriate federal role, broad applicability across industries, utilizes readily available technologies, and all are administratively feasible.

  12. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    Peter J. Tijrn

    2000-03-31

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  13. Alternative Fuels and Chemicals from Synthesis Gas

    SciTech Connect (OSTI)

    Peter Tijrn

    2003-01-02

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  14. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    1999-10-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  15. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    Unknown

    1999-04-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  16. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    Unknown

    1999-01-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  17. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    Unknown

    2000-10-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  18. ALTERNATIVE FUELS AND CHEMICALS FROM SYNTHESIS GAS

    SciTech Connect (OSTI)

    Peter J. Tijrn

    2000-09-30

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  19. Alternative fuels and chemicals from synthesis gas

    SciTech Connect (OSTI)

    Unknown

    1998-08-01

    The overall objectives of this program are to investigate potential technologies for the conversion of synthesis gas to oxygenated and hydrocarbon fuels and industrial chemicals, and to demonstrate the most promising technologies at DOE's LaPorte, Texas, Slurry Phase Alternative Fuels Development Unit (AFDU). The program will involve a continuation of the work performed under the Alternative Fuels from Coal-Derived Synthesis Gas Program and will draw upon information and technologies generated in parallel current and future DOE-funded contracts.

  20. ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying Process ... ITP Chemicals: Chemical Bandwidth Study - Energy Analysis: A Powerful Tool for Identifying ...

  1. Collaborating for Multi-Scale Chemical Science

    SciTech Connect (OSTI)

    William H. Green

    2006-07-14

    Advanced model reduction methods were developed and integrated into the CMCS multiscale chemical science simulation software. The new technologies were used to simulate HCCI engines and burner flames with exceptional fidelity.

  2. Coal industry annual 1993

    SciTech Connect (OSTI)

    Not Available

    1994-12-06

    Coal Industry Annual 1993 replaces the publication Coal Production (DOE/FIA-0125). This report presents additional tables and expanded versions of tables previously presented in Coal Production, including production, number of mines, Productivity, employment, productive capacity, and recoverable reserves. This report also presents data on coal consumption, coal distribution, coal stocks, coal prices, coal quality, and emissions for a wide audience including the Congress, Federal and State agencies, the coal industry, and the general public. In addition, Appendix A contains a compilation of coal statistics for the major coal-producing States. This report does not include coal consumption data for nonutility Power Producers who are not in the manufacturing, agriculture, mining, construction, or commercial sectors. This consumption is estimated to be 5 million short tons in 1993.

  3. Coal industry annual 1997

    SciTech Connect (OSTI)

    1998-12-01

    Coal Industry Annual 1997 provides comprehensive information about US coal production, number of mines, prices, productivity, employment, productive capacity, and recoverable reserves. US Coal production for 1997 and previous years is based on the annual survey EIA-7A, Coal Production Report. This report presents data on coal consumption, coal distribution, coal stocks, coal prices, and coal quality for Congress, Federal and State agencies, the coal industry, and the general public. Appendix A contains a compilation of coal statistics for the major coal-producing States. This report includes a national total coal consumption for nonutility power producers that are not in the manufacturing, agriculture, mining, construction, or commercial sectors. 14 figs., 145 tabs.

  4. US cement industry

    SciTech Connect (OSTI)

    Nisbet, M.A.

    1997-12-31

    This paper describes the cement and concrete industry, and provides data on energy use and carbon dioxide emissions. The potential impact of an energy tax on the industry is briefly assessed. Opportunities identified for reducing carbon dioxide emissions include improved energy efficiency, alternative fuels, and alternative materials. The key factor in determining CO{sub 2} emissions is the level of domestic production. The projected improvement in energy efficiency and the relatively slow growth in domestic shipments indicate that CO{sub 2} emissions in 2000 should be about 5% above the 1990 target. However, due to the cyclical nature of cement demand, emissions will probably be above target levels during peak demand and below target levels during demand troughs. 7 figs., 2 tabs.

  5. Industrial Analytics Corporation

    SciTech Connect (OSTI)

    Industrial Analytics Corporation

    2004-01-30

    The lost foam casting process is sensitive to the properties of the EPS patterns used for the casting operation. In this project Industrial Analytics Corporation (IAC) has developed a new low voltage x-ray instrument for x-ray radiography of very low mass EPS patterns. IAC has also developed a transmitted visible light method for characterizing the properties of EPS patterns. The systems developed are also applicable to other low density materials including graphite foams.

  6. Recent developments: Industry briefs

    SciTech Connect (OSTI)

    1992-06-01

    This article is the `Industry Briefs` portion of Nuexco`s June 1992 `Recent Developments` section. Specific items mentioned in this article include: (1) a new fuel fabrication facility in South Korea, (2) use of mixed-oxide fuel in Belgium, (3) privatization of nuclear plants in Argentina, (4) startup of Ohi-4 in Japan, (5) purchase of uranium properties in Wyoming, and (6) formation of an international utilities forum.

  7. Fermilab | Resources | Industrial Partnerships

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Resources Navbar Toggle About Quick Info Science History Leadership and Organization Leadership Organizational chart Committees and Councils Photo and Video Gallery Diversity Education Safety Sustainability and Environment Contact Related Links DOE FRA UChicago URA Newsroom Spotlight Press releases Fact sheets and brochures symmetry Interactions.org Photo and video archive Resources for ... Employees Researchers, postdocs and graduate students Job seekers Neighbors Industry K-12 students,

  8. wave energy industry research

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    industry research - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear

  9. Natural Gas Industrial Price

    U.S. Energy Information Administration (EIA) Indexed Site

    Citygate Price Residential Price Commercial Price Industrial Price Electric Power Price Gross Withdrawals Gross Withdrawals From Gas Wells Gross Withdrawals From Oil Wells Gross Withdrawals From Shale Gas Wells Gross Withdrawals From Coalbed Wells Repressuring Nonhydrocarbon Gases Removed Vented and Flared Marketed Production NGPL Production, Gaseous Equivalent Dry Production Imports By Pipeline LNG Imports Exports Exports By Pipeline LNG Exports Underground Storage Capacity Gas in Underground

  10. Automotive Turbocharging: Industrial Requirements and Technology...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Turbocharging: Industrial Requirements and Technology Developments Automotive Turbocharging: Industrial Requirements and Technology Developments Significant improvements in ...

  11. Career Map: Industrial Engineer | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industrial Engineer Career Map: Industrial Engineer Two industrial engineers analyze data on a computer. Industrial Engineer Position Title Industrial Engineer Alternate Title(s) Production Engineer, Process Engineer, Manufacturing Engineer, Industrial Production Manager Education & Training Level Advanced, Bachelors required, prefer graduate degree Education & Training Level Description Industrial engineers should have a bachelor's degree in industrial engineering. Employers also value

  12. Expansion of ARAC for chemical releases

    SciTech Connect (OSTI)

    Baskett, R.L.; Blair, M.D.; Foster, C.S.; Taylor, A.G.

    1997-07-01

    In 1996 the Atmospheric Release Advisory Capability (ARAC) at Lawrence Livermore National Laboratory (LLNL) completed an effort to expand its national emergency response modeling system for chemical releases. Key components of the new capability include the integration of (1) an extensive chemical property database, (2) source modeling for tanks and evaporating pools, (3) denser-than-air dispersion, (4) public exposure guidelines, and (5) an interactive graphical user interface (GUI). Recent use and the future of the new capability are also discussed.

  13. TANK VAPOR CHEMICALS OF POTENTIAL CONCERN & EXISTING DIRECT READING INSTRUMENTION & PERSONAL PROTECTIVE EQUIPMENT CONSIDERATIONS

    SciTech Connect (OSTI)

    BUTLER, N.K.

    2004-11-01

    This document takes the newly released Industrial Hygiene Chemical Vapor Technical Basis (RPP-22491) and evaluates the chemicals of potential concern (COPC) identified for selected implementation actions by the industrial hygiene organization. This document is not intended as a hazard analysis with recommended controls for all tank farm activities. Not all of the chemicals listed are present in all tanks; therefore, hazard analyses can and should be tailored as appropriate. Detection of each chemical by current industrial hygiene non-specific instrumentation in use at the tank farms is evaluated. Information gaps are identified and recommendations are made to resolve these needs. Of the 52 COPC, 34 can be detected with existing instrumentation. Three additional chemicals could be detected with a photoionization detector (PID) equipped with a different lamp. Discussion with specific instrument manufacturers is warranted. Consideration should be given to having the SapphIRe XL customized for tank farm applications. Other instruments, sampling or modeling techniques should be evaluated to estimate concentrations of chemicals not detected by direct reading instruments. In addition, relative instrument response needs to be factored in to action levels used for direct reading instruments. These action levels should be correlated to exposures to the COPC and corresponding occupational exposure limits (OELs). The minimum respiratory protection for each of the COPC is evaluated against current options. Recommendations are made for respiratory protection based on each chemical. Until exposures are sufficiently quantified and analyzed, the current use of supplied air respiratory protection is appropriate and protective for the COPC. Use of supplied air respiratory protection should be evaluated once a detailed exposure assessment for the COPC is completed. The established tank farm OELs should be documented in the TFC-PLN-34. For chemicals without an established tank farm OEL

  14. Industrial Dojo Program Fosters Industrial Internet Development | GE Global

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Research Launches Cloud Foundry 'Industrial Dojo,' Contributes to Open Source to Foster Continued Development of the Industrial Internet Click to email this to a friend (Opens in new window) Share on Facebook (Opens in new window) Click to share (Opens in new window) Click to share on LinkedIn (Opens in new window) Click to share on Tumblr (Opens in new window) GE Launches Cloud Foundry 'Industrial Dojo,' Contributes to Open Source to Foster Continued Development of the Industrial Internet

  15. CASL - Industry Council and CASL Project are Engaged to Investigate

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Workflow Processes to Ensure Value and Usability of CASL Results Industry Council and CASL Project are Engaged to Investigate Workflow Processes to Ensure Value and Usability of CASL Results John Gaertner, Chairman, CASL Industry Council January 3, 2012 Background The CASL Workflow Project is a joint activity between members of the CASL Industry Council (IC) and the Advanced Modeling Applications (AMA) and Virtual Reactor Integration (VRI) focus areas. The project originated at a Fall 2011

  16. NETL's High-Speed Imaging System Successfully Applied in Medicine, Broad Spectrum of Industry

    Broader source: Energy.gov [DOE]

    A groundbreaking Department of Energy-developed imaging system originally designed to help create cleaner fossil energy processes is finding successful applications in a wide range of medical, chemical processing, energy, and other industries.

  17. Opportunity Analysis for Recovering Energy from Industrial Waste Heat and Emissions

    SciTech Connect (OSTI)

    Viswanathan, V. V.; Davies, R. W.; Holbery, J.

    2006-04-01

    This report analyzes the opportunity to recover chemical emissions and thermal emissions from U.S. industry. It also analyzes the barriers and pathways to more effectively capitalize on these opportunities.

  18. Chemical Resources | Sample Preparation Laboratories

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Chemical Resources Chemical Inventory All Sample Preparation Labs are stocked with an assortment of common solvents, acids, bases, buffers, and other reagents. See our Chemical ...

  19. Chemical Physics | The Ames Laboratory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Physics FWP/Project Description: Project Leader(s): James Evans, Mark Gordon Principal Investigators: James Evans, Mark Gordon, Klaus Ruedenberg, Theresa Windus Key Scientific Personnel: Da-Jiang Liu, Michael Schmidt. The theoretical Chemical Physics program at Ames Laboratory supports integrated efforts in electronic structure theory and non-equilibrium statistical mechanical & multiscale modeling. The primary focus is on the development and especially application of methods that enable the

  20. Heat pipes for industrial waste heat recovery

    SciTech Connect (OSTI)

    Merrigan, M.A.

    1981-01-01

    Development work on the high temperature ceramic recuperator at Los Alamos National Laboratory is described and involved material investigations, fabrication methods development, compatibility tests, heat pipe operation, and the modeling of application conditions based on current industrial usage. Solid ceramic heat pipes, ceramic coated refractory pipes, and high-temperature oxide protected metallic pipes have been investigated. Economic studies of the use of heat-pipe based recuperators in industrial furnaces have been conducted and payback periods determined as a function of material, fabrication, and installation cost.

  1. Handbook of industrial and hazardous wastes treatment. 2nd ed.

    SciTech Connect (OSTI)

    Lawrence Wang; Yung-Tse Hung; Howard Lo; Constantine Yapijakis

    2004-06-15

    This expanded Second Edition offers 32 chapters of industry- and waste-specific analyses and treatment methods for industrial and hazardous waste materials - from explosive wastes to landfill leachate to wastes produced by the pharmaceutical and food industries. Key additional chapters cover means of monitoring waste on site, pollution prevention, and site remediation. Including a timely evaluation of the role of biotechnology in contemporary industrial waste management, the Handbook reveals sound approaches and sophisticated technologies for treating: textile, rubber, and timber wastes; dairy, meat, and seafood industry wastes; bakery and soft drink wastes; palm and olive oil wastes; pesticide and livestock wastes; pulp and paper wastes; phosphate wastes; detergent wastes; photographic wastes; refinery and metal plating wastes; and power industry wastes. This final chapter, entitled 'Treatment of power industry wastes' by Lawrence K. Wang, analyses the stream electric power generation industry, where combustion of fossil fuels coal, oil, gas, supplies heat to produce stream, used then to generate mechanical energy in turbines, subsequently converted to electricity. Wastes include waste waters from cooling water systems, ash handling systems, wet-scrubber air pollution control systems, and boiler blowdown. Wastewaters are characterized and waste treatment by physical and chemical systems to remove pollutants is presented. Plant-specific examples are provided.

  2. Deaerators in Industrial Steam Systems

    SciTech Connect (OSTI)

    Not Available

    2006-01-01

    This revised ITP tip sheet on deaerators in industrial steam systems provides how-to advice for improving industrial steam systems using low-cost, proven practices and technologies.

  3. Reid Industries | Open Energy Information

    Open Energy Info (EERE)

    Reid Industries Jump to: navigation, search Name: Reid Industries Address: PO Box 503 Place: San Francisco, CA Zip: 94104 Phone Number: 415-947-1050 Coordinates: 37.7923058,...

  4. Industrial Process Heating - Technology Assessment

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Industrial Process Heating - Technology Assessment 1 2 Contents 3 4 1. Introduction to the Technology/System ............................................................................................... 2 5 1.1. Industrial Process Heating Overview ............................................................................................ 2 6 2. Technology Assessment and Potential ................................................................................................. 6 7 2.1. Status

  5. Forest Products Industry Technology Roadmap

    SciTech Connect (OSTI)

    none,

    2010-04-01

    This document describes the forest products industry's research and development priorities. The original technology roadmap published by the industry in 1999 and was most recently updated in April 2010.

  6. Engineering microbes for efficient production of chemicals

    SciTech Connect (OSTI)

    Gong, Wei; Dole, Sudhanshu; Grabar, Tammy; Collard, Andrew Christopher; Pero, Janice G; Yocum, R Rogers

    2015-04-28

    This present invention relates to production of chemicals from microorganisms that have been genetically engineered and metabolically evolved. Improvements in chemical production have been established, and particular mutations that lead to those improvements have been identified. Specific examples are given in the identification of mutations that occurred during the metabolic evolution of a bacterial strain genetically engineered to produce succinic acid. This present invention also provides a method for evaluating the industrial applicability of mutations that were selected during the metabolic evolution for increased succinic acid production. This present invention further provides microorganisms engineered to have mutations that are selected during metabolic evolution and contribute to improved production of succinic acid, other organic acids and other chemicals of commercial interest.

  7. RESULTS FROM THE (1) DATA COLLECTION WORKSHOP, (2) MODELING WORKSHOP AND (3) DRILLING AND CORING METHODS WORKSHOP AS PART OF THE JOINT INDUSTRY PARTICIPATION (JIP) PROJECT TO CHARACTERIZE NATURAL GAS HYDRATES IN THE DEEPWATER GULF OF MEXICO

    SciTech Connect (OSTI)

    Stephen A. Holditch; Emrys Jones

    2002-09-01

    In 2000, Chevron began a project to learn how to characterize the natural gas hydrate deposits in the deepwater portions of the Gulf of Mexico. A Joint Industry Participation (JIP) group was formed in 2001, and a project partially funded by the U.S. Department of Energy (DOE) began in October 2001. The primary objective of this project is to develop technology and data to assist in the characterization of naturally occurring gas hydrates in the deepwater Gulf of Mexico. These naturally occurring gas hydrates can cause problems relating to drilling and production of oil and gas, as well as building and operating pipelines. Other objectives of this project are to better understand how natural gas hydrates can affect seafloor stability, to gather data that can be used to study climate change, and to determine how the results of this project can be used to assess if and how gas hydrates act as a trapping mechanism for shallow oil or gas reservoirs. As part of the project, three workshops were held. The first was a data collection workshop, held in Houston during March 14-15, 2002. The purpose of this workshop was to find out what data exist on gas hydrates and to begin making that data available to the JIP. The second and third workshop, on Geoscience and Reservoir Modeling, and Drilling and Coring Methods, respectively, were held simultaneously in Houston during May 9-10, 2002. The Modeling Workshop was conducted to find out what data the various engineers, scientists and geoscientists want the JIP to collect in both the field and the laboratory. The Drilling and Coring workshop was to begin making plans on how we can collect the data required by the project's principal investigators.

  8. Enviromech Industries | Open Energy Information

    Open Energy Info (EERE)

    search Name: Enviromech Industries Place: Thousands Palms, California Zip: 92276 Product: Alternative fuel system design and integration company. References: Enviromech...

  9. Industry Interactive Procurement System (IIPS)

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Interactive Industry Interactive Procurement System Procurement System (IIPS) (IIPS) Douglas Baptist, Project Manager Information Management Systems Division US Department of ...

  10. CEMI Industrial Efficiency (text version)

    Broader source: Energy.gov [DOE]

    Below is the text version for the Clean Energy Manufacturing Initiative Industrial Efficiency and Energy Productivity Video.  

  11. Industry outreach a status report

    SciTech Connect (OSTI)

    Surek, D.; Sen, R.

    1995-09-01

    The Outreach Project was initiated in October 1994 with the objective of developing a multi-year plan for the U.S. Department of Energy (DOE) for targeted outreach activities for stakeholders in industry and the general public. This status report summarizes the work on industry outreach that has been completed since the inception of the project in October 1994. A three-pronged approach was taken to ascertain issues related to industry outreach. First, there was a review of on-going and past industry outreach activities at DOE and NHA. Next, a series of meetings with industry decision makers was arranged to get a better understanding of industry interests and concerns, and to discuss how DOE and industry could work collaboratively to develop hydrogen energy systems. Third, a workshop is scheduled where representatives from industry, DOE and other federal agencies can identify issues that would enhance partnering between the federal government and industry in the development of hydrogen energy systems. At this tiny, the review of on-going and past activities has been completed. Industry interviews are in progress and a majority of meetings have been held. Analysis of the information gained is in progress. The preliminary analysis of this information indicates that for appropriate near-term demonstration-type projects, the level of interest for collaboration between DOE and industry is high. The data also identifies issues industry is concerned with which impact the commercialization of hydrogen energy systems.

  12. The industrial ecology of steel

    SciTech Connect (OSTI)

    Considine, Timothy J.; Jablonowski, Christopher; Considine, Donita M.M.; Rao, Prasad G.

    2001-03-26

    This study performs an integrated assessment of new technology adoption in the steel industry. New coke, iron, and steel production technologies are discussed, and their economic and environmental characteristics are compared. Based upon detailed plant level data on cost and physical input-output relations by process, this study develops a simple mathematical optimization model of steel process choice. This model is then expanded to a life cycle context, accounting for environmental emissions generated during the production and transportation of energy and material inputs into steelmaking. This life-cycle optimization model provides a basis for evaluating the environmental impacts of existing and new iron and steel technologies. Five different plant configurations are examined, from conventional integrated steel production to completely scrap-based operations. Two cost criteria are used to evaluate technology choice: private and social cost, with the latter including the environmental damages associated with emissions. While scrap-based technologies clearly generate lower emissions in mass terms, their emissions of sulfur dioxide and nitrogen oxides are significantly higher. Using conventional damage cost estimates reported in the literature suggests that the social costs associated with scrap-based steel production are slightly higher than with integrated steel production. This suggests that adopting a life-cycle viewpoint can substantially affect environmental assessment of new technologies. Finally, this study also examines the impacts of carbon taxes on steel production costs and technology choice.

  13. Coal Industry Annual 1995

    SciTech Connect (OSTI)

    1996-10-01

    This report presents data on coal consumption, coal distribution, coal stocks, coal prices, coal quality, and emissions for Congress, Federal and State agencies, the coal industry, and the general public. Appendix A contains a compilation of coal statistics for the major coal-producing States. This report does not include coal consumption data for nonutility power producers that are not in the manufacturing, agriculture, mining, construction, or commercial sectors. Consumption for nonutility power producers not included in this report is estimated to be 21 million short tons for 1995.

  14. Coal industry annual 1996

    SciTech Connect (OSTI)

    1997-11-01

    This report presents data on coal consumption, coal distribution, coal stocks, coal prices, and coal quality, and emissions for Congress, Federal and State agencies, the coal industry, and the general public. Appendix A contains a compilation of coal statistics for the major coal-producing States.This report does not include coal consumption data for nonutility power producers that are not in the manufacturing, agriculture, mining, construction, or commercial sectors. Consumption for nonutility power producers not included in this report is estimated to be 24 million short tons for 1996. 14 figs., 145 tabs.

  15. Recent developments: Industry briefs

    SciTech Connect (OSTI)

    1990-04-01

    Recent nuclear industry briefs are presented. These briefs include: Soviet Union to build Iran nuclear plant; Dension announces cuts in Elliot Lake production; Soviet environmental study delays Rostov startup; Cogema closes two mines; Namibian sanctions lifted by USA and Canada; US Energy and Kennecott restructors joint venture; Australians reelect Hawke; China to buy Soviet nuclear plant; Olympic Dam`s first sale of concentrates to USA; Uranevz buys one-third of Cogema`s Rabbit Lake operations; East and West Germany forming joint nuclear law; and Nova Scotia extends uranium exploration plan.

  16. CASL Industry Council Meeting

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Meeting 12-13 April 2016 Meeting Minutes Page | 1 The spring 2016 meeting of the Industry Council (IC) for the Consortium for Advanced Simulation of Light Water Reactors (CASL) was held on April 12-13, 2016 at the Aloft Hotel in Greenville, South Carolina and was led by the CASL IC Chairman Scott Thomas of Duke Energy and the new CASL IC Executive Director Erik Mader from the EPRI Fuel Reliability Program. The meeting location and logistics were excellent and the group profusely thanked Lorie

  17. Field emission chemical sensor

    DOE Patents [OSTI]

    Panitz, J.A.

    1983-11-22

    A field emission chemical sensor for specific detection of a chemical entity in a sample includes a closed chamber enclosing two field emission electrode sets, each field emission electrode set comprising (a) an electron emitter electrode from which field emission electrons can be emitted when an effective voltage is connected to the electrode set; and (b) a collector electrode which will capture said electrons emitted from said emitter electrode. One of the electrode sets is passive to the chemical entity and the other is active thereto and has an active emitter electrode which will bind the chemical entity when contacted therewith.

  18. CAMD Cleanroom Chemical List

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    CAMD Cleanroom Chemical List Chemicals on this list are routine use chemicals in the CAMD Cleanroom and are available to users for general use. All others (*) are approved for use in the cleanroom but are not provided by CAMD. You must purchase from your department and store at the facility. If there are any other chemicals that you need to use that are not on this list, contact the Safety Director, Dr. Lorraine Day, day@lsu.edu, 225-578-4616 for approval. Resists Developers *AZ 1505 *AZ 1512

  19. Apparatus for chemical synthesis

    DOE Patents [OSTI]

    Kong, Peter C.; Herring, J. Stephen; Grandy, Jon D.

    2011-05-10

    A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

  20. Finite element model to predict the flow of underground contaminants due to leakage of chemical and/or radio active material from a buried containment. Final technical report

    SciTech Connect (OSTI)

    Anand, S.C.; Pandit, A.

    1983-06-01

    In the investigation, a Galerkin finite element model in two dimensions is developed to study the phenomena of mass transfer in porous media. In particular, the problems of the saltwater encroachment in coastal aquifers and the transport of hazardous wastes in groundwater environment are studied for a wide range of aquifer parameters. The coupled governing partial differential equations are nondimensionalized and solved for a two-dimensional, saturated aquifer in the vertical plane for both steady state and transient conditions using an iterative solution procedure. The flow transport is represented either in terms of the stream function or the freshwater hydraulic head.