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. Efficient Nonlinear Optimization with Rigorous Models for Large Scale Industrial Chemical Processes 

    E-Print Network [OSTI]

    Zhu, Yu

    2011-08-08

    of Department, Michael Pishko May 2011 Major Subject: Chemical Engineering iii ABSTRACT Efficient Nonlinear Optimization with Rigorous Models for Large Scale Industrial Chemical Processes. (May 2011) Yu Zhu, B.S., Zhejiang University; M.S., Zhejiang... . . . . . . . . . . . . . . . . . . . . . . . . . . 1 A. Nonlinear Optimization with Rigorous Large Scale Models 1 B. Chemical Applications of Nonlinear Optimization . . . . . 2 1. Design under Uncertainty . . . . . . . . . . . . . . . . 3 2. Optimal Operations with Steady State Models . . . . 4...

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

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

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

  5. Carbon Emissions: Chemicals Industry

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet)Decade Year-0ProvedDecade2,948California (MillionThousandChemicals Industry

  6. Reporting Conservation Results in the Chemical Industry 

    E-Print Network [OSTI]

    Doerr, R. E.

    1979-01-01

    In 1974, the Manufacturing Chemists Association (MCA) developed an energy rate method for reporting the energy conservation results of the chemical industry to the Federal Energy Administration. The MCA Energy Rate Method has served as a model...

  7. 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.

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

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

    Industrial Feedstock Flexibility Workshop Results, December 2009 ITP Chemicals: Industrial Feedstock Flexibility Workshop Results, December 2009 feedstockworkshopreport.pdf More...

  9. Methods in Industrial Biotechnology for Chemical Engineers

    E-Print Network [OSTI]

    W. B. Vasantha Kandasamy; Florentin Smarandache

    2008-07-13

    In keeping with the definition that biotechnology is really no more than a name given to a set of techniques and processes, the authors apply some set of fuzzy techniques to chemical industry problems such as finding the proper proportion of raw mix to control pollution, to study flow rates, to find out the better quality of products. We use fuzzy control theory, fuzzy neural networks, fuzzy relational equations, genetic algorithms to these problems for solutions. When the solution to the problem can have certain concepts or attributes as indeterminate, the only model that can tackle such a situation is the neutrosophic model. The authors have also used these models in this book to study the use of biotechnology in chemical industries. This book has six chapters. First chapter gives a brief description of biotechnology. Second chapter deals will proper proportion of mix of raw materials in cement industries to minimize pollution using fuzzy control theory. Chapter three gives the method of determination of temperature set point for crude oil in oil refineries. Chapter four studies the flow rates in chemical industries using fuzzy neutral networks. Chapter five gives the method of minimization of waste gas flow in chemical industries using fuzzy linear programming. The final chapter suggests when in these studies indeterminancy is an attribute or concept involved, the notion of neutrosophic methods can be adopted.

  10. Alumni & Industry Magazine Chemical Engineering & Applied Chemistry

    E-Print Network [OSTI]

    Prodiæ, Aleksandar

    grease, waste animal fats, recycled veg- etable oils and agricultural seed oils into biodiesel. BioxAlumni & Industry Magazine Chemical Engineering & Applied Chemistry University of Toronto Volume 10

  11. Supply chain network optimization : low volume industrial chemical product

    E-Print Network [OSTI]

    Dacha, Fred (Frederick Omondi)

    2013-01-01

    The chemical industry is a highly competitive and low margin industry. Chemical transportation faces stringent safety regulations meaning that Cost-To-Serve (C2S), costs associated with products net flow from manufacturers ...

  12. New Frontiers for Encapsulation in the Chemical Industry Brenda Andrade,,

    E-Print Network [OSTI]

    Cheng, Jianjun

    Chemical Company, Collegeville, Pennsylvania 19426, United States ABSTRACT: Encapsulation of activesNew Frontiers for Encapsulation in the Chemical Industry Brenda Andrade,, Ziyuan Song,, Jun Li, United States § Formulation Science, Corporate Research and Development, The Dow Chemical Company

  13. DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING

    E-Print Network [OSTI]

    Mountziaris, T. J.

    DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING University review of kinetic processes in engineering materials that control the materials' structural and chemical in engineering materials that control the materials' structural and chemical characteristics in relation

  14. 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.

  15. TECHNOLOGY VISION 2020: The U.S. Chemical Industry

    Office of Energy Efficiency and Renewable Energy (EERE)

    The chemical industry faces heightened challenges as it enters the 21st century. Five major forces are among those shaping the topography of its business landscape

  16. 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.

  17. DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING

    E-Print Network [OSTI]

    Mountziaris, T. J.

    DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING University aims at a comprehensive introduction to the mechanical behavior of solid engineering materials utilized. Understanding of the mechanical behavior of solid engineering materials used in current materials engineering

  18. Chemical kinetics modeling

    SciTech Connect (OSTI)

    Westbrook, C.K.; Pitz, W.J. [Lawrence Livermore National Laboratory, CA (United States)

    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.

  19. 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.

  20. Sanyo Chemical Industries | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page onRAPID/Geothermal/Exploration/ColoradoRemsenburg-Speonk,Sage ResourcesFlorida: EnergyNewSanton GmbH Jump to:Chemical

  1. Federal/Industry Development of Energy-Conserving Technologies for the Chemical and Petroleum Refining Industries 

    E-Print Network [OSTI]

    Alston, T. G.; Humphrey, J. L.

    1981-01-01

    Argonne National Laboratory has started a program to identify future RD&D projects that (i) promise cost-effective savings of scarce fuels in the chemical and petroleum refining industries, (ii) are not likely to be pursued by industry alone...

  2. Global Intermodal Tank Container Management for the Chemical Industry

    E-Print Network [OSTI]

    Erera, Alan

    transport multiple cargoes. Tank containers, also referred to as ISO tanks, intermodal tanks, or IMOGlobal Intermodal Tank Container Management for the Chemical Industry Alan L. Erera, Juan C on asset management problems faced by tank container operators, and formulates an operational tank

  3. DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING

    E-Print Network [OSTI]

    Mountziaris, T. J.

    DEPARTMENT OF CHEMICAL ENGINEERING DEPARTMENT OF MECHANICAL AND INDUSTRIAL ENGINEERING University of Massachusetts, Amherst ChE/MIE 590L Spring 2011 INFORMATION SHEET Materials Science and Engineering Project with the instructors during the first eight weeks of the semester as required. Instructors: Materials Engineering

  4. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    specified in the ‘Energy Technology List’ during the yearenergy consumers in the chemical industry, and list examples of technology

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

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuqueque, NM) [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.

  6. Reactive formulations for a neutralization of toxic industrial chemicals

    DOE Patents [OSTI]

    Tucker, Mark D. (Albuqueruqe, NM); Betty, Rita G. (Rio Rancho, NM)

    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.

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

    Office of Energy Efficiency and Renewable Energy (EERE)

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

  8. Tribo-Chemical Modeling of Copper CMP

    E-Print Network [OSTI]

    Tripathi, Shantanu; Doyle, Fiona; Dornfeld, David

    2006-01-01

    TRIBO-CHEMICAL MODELING OF COPPER CMP Shantanu Tripathi 1 ,an integrated tribo-chemical model of copper CMP thatThe role of glycine in the chemical mechanical planarization

  9. 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)

  10. 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.

  11. Initial Placement of BS Chemical Engineers, `00-01 Industry 55.9%

    E-Print Network [OSTI]

    Haile, Sossina M.

    Initial Placement of BS Chemical Engineers, `00-01 Industry 55.9% Other 1.8% Graduate.8% Initial placement of Chemical Engineering Graduates, Academic Year `00-'01, AIChE Career Services Department #12;Breakdown of Industrial Employment for BS Chemical Engineers Chemical 23.3% Fuels 15

  12. 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.

  13. A FIELD STUDY OF THE INDUSTRIAL MODELING B.A. Foss B. Lohmann W. Marquardt

    E-Print Network [OSTI]

    Foss, Bjarne A.

    A FIELD STUDY OF THE INDUSTRIAL MODELING PROCESS B.A. Foss B. Lohmann W. Marquardt Department the modeling process by means of a eld study in the chemical industries. A diversi ed set of experienced in the process industries were treated as well. The information has been summarized and presented in a structured

  14. Chemical kinetics and combustion modeling

    SciTech Connect (OSTI)

    Miller, J.A. [Sandia National Laboratories, Livermore, CA (United States)

    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.

  15. Modeling and Improving an Industrial Software Process

    E-Print Network [OSTI]

    Picco, Gian Pietro

    possible levels of maturity for a software process. At the first level, software production activities continuous improvement. It is the basis of the Japanese approach to industrial production and is applied1 Modeling and Improving an Industrial Software Process Sergio Bandinelli, Alfonso Fuggetta, Member

  16. Modelling Inter-Industry Material Flows

    E-Print Network [OSTI]

    CIEEDAC Modelling Inter-Industry Material Flows: A review of methodologies For Natural Resources Canada By Maggie Tisdale CIEEDAC Energy and Materials Research Group School of Resource and Environmental .................................................................................................. 2 2.2. INDIRECT EFFECTS

  17. Classical Coordination Mechanisms in the Chemical Model

    E-Print Network [OSTI]

    Fradet, Pascal

    great souvenir! Abstract Originally, the chemical model of computation has been proposed as a sim- pleClassical Coordination Mechanisms in the Chemical Model J.-P. Ban^atre P. Fradet Y. Radenac-Pierre Ban^atre) had with Gilles on topics related with programming in general and chemical programming

  18. Energy Flow Models for the Steel Industry 

    E-Print Network [OSTI]

    Hyman, B.; Andersen, J. P.

    1998-01-01

    Energy patterns in the U. S. steel industry are examined using several models. First is an end-use model based on data in the 1994 Manufacturing Energy Consumption Survey (MECS). Then a seven-step process model is presented and material flow through...

  19. Biomedical | Chemical & Biomolecular | Civil & Environmental | Electrical & Computer | Industrial | Mechanical | Petroleum Careers in Industrial Engineering

    E-Print Network [OSTI]

    Glowinski, Roland

    | Mechanical | Petroleum Careers in Industrial Engineering Manufacturing, service and retail industries hire a significant number of industrial engineers. Specific industries include automobile manufacturers, electronics to the US Bureau of Labor Statistics, the 2012 average annual wage for industrial engineers is $82

  20. Incremental Integration Tools for Chemical Engineering: An Industrial Application of Triple Graph

    E-Print Network [OSTI]

    Westfechtel, Bernhard

    Incremental Integration Tools for Chemical Engineering: An Industrial Application of Triple Graph problems in a specific domain, namely design processes in chemical engineering. Here, different design and tools for chemical engineering design. In IMPROVE, we realized a framework for building incremental

  1. 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.

  2. 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.

  3. 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.

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

    Broader source: Energy.gov [DOE]

    Assessment of the potential of CHP technologies to reduce carbon emissions in the US chemicals and pulp and paper industries.

  5. 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-specific energy-efficiency. An important element of the SIOF-program is the preparation of R&D roadmaps for each of the selected industries. The roadmap will help to identify priority needs for the participating industries to meet their energy challenges. The roadmap effort builds on the roadmaps developed by DOE, and on the conditions specific for the industry in California. Key to the successful preparation of a roadmap in the selected industries is the development of a profile of the industries. The profile provides a basis for the participants in the roadmap-effort, especially as the structure of the industries in California can be different than in the nation. The sector profiles describe the current economic and energy situation of these industries in California, the processes and energy uses, and the potential future developments in each industry. The profiles are an integral part of the roadmap, to help working group partners to evaluate the industry's R&D needs for their industry in California. In this report, we focus on the chemicals industry. The industry is an important economic factor in the state, providing over 82,300 jobs directly, and more in indirect employment. Value of shipments in 2001 was just under $25.7 Billion, or 6% of all manufacturing in California. There are over 1,500 chemical plants in California, of which 52% are pharmaceutical companies. Many companies operate chemical plants in California. The industry consumes 8% of the electricity and 5% of the natural gas in California. In this report, we start with a description of the chemical industry in the United States and California. This is followed by a discussion of the energy consumption and energy intensity of the Californian chemical industry. Chapter 3 focuses on the main sub-sectors. For each of the sub-sectors a general process description is provided in Chapter 4. Based on this analysis, in Chapter 5, we discuss potential technology developments that can contribute to further improving the energy efficiency in chemical plants, with a focus on the situation in California.

  6. Building robust chemical reaction mechanisms : next generation of automatic model construction software

    E-Print Network [OSTI]

    Song, Jing, 1972-

    2004-01-01

    Building proper reaction mechanisms is crucial to model the system dynamic properties for many industrial processes with complex chemical reaction phenomena. Because of the complexity of a reaction mechanism, computer-aided ...

  7. Adjustable Speed Drives in the U.S. Petroleum Refining, Petrochemical, and Chemical Industries 

    E-Print Network [OSTI]

    Foley, D. J.; Chodorowski, A.

    1993-01-01

    This paper describes applications and incentives for the use of variable frequency drivers (VFD) in the petroleum refining, petrochemical, and chemical industries. VFDs are a particular type of adjustable speed driver (ASD) found prevalently...

  8. The Development of Dynamic Operational Risk Assessment in Oil/Gas and Chemical Industries 

    E-Print Network [OSTI]

    Yang, Xiaole

    2011-08-08

    In oil/gas and chemical industries, dynamics is one of the most essential characteristics of any process. Time-dependent response is involved in most steps of both the physical/engineering processes and the equipment ...

  9. Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial

    E-Print Network [OSTI]

    Boyer, Edmond

    Transformation of Sorbitol to Biofuels by Heterogeneous Catalysis: Chemical and Industrial ainsi que des exemples d'applications industrielles. Abstract -- Transformation of Sorbitol to Biofuels and biodiesel production led to first generation biofuels. Nowadays, research is focused on lignocellulosic

  10. 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.

  11. Developing system-based leading indicators for proactive risk management in the chemical processing industry

    E-Print Network [OSTI]

    Khawaji, Ibrahim A. (Ibrahim Abdullah)

    2012-01-01

    The chemical processing industry has faced challenges with achieving improvements in safety performance, and accidents continue to occur. When accidents occur, they usually have a confluence of multiple factors, suggesting ...

  12. interfaces Alumni & Industry Magazine Chemical Engineering & Applied Chemistry

    E-Print Network [OSTI]

    Prodiæ, Aleksandar

    of Toronto Volume 9, Spring 2012 Industrial Water 4 Student News Plant Design Dives into Oil Sands Tailings this year, three groups were asked to propose remedies for the Athabasca Oil Sands Tailings Ponds. Currently

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

    E-Print Network [OSTI]

    Cowan-Ellsberry, Christina E.

    2010-01-01

    Chemicals in Hazard and Risk Assessment Christina E. Cowan-implications for chemical risk assessment. J Environ MonitJM. 2006. Screening level risk assessment model for chemical

  14. The concept of chemical looping reactions has been widely applied in chemical industries. Fundamental research on chemical looping reactions has also been applied to energy systems. Fossil fuel chemical looping applications were used with the steam-iron p

    E-Print Network [OSTI]

    of high efficiency operational processes, interest in chemical looping technology has resurfaced for itsThe concept of chemical looping reactions has been widely applied in chemical industries. Fundamental research on chemical looping reactions has also been applied to energy systems. Fossil fuel

  15. Applications of Ontologies for Assembling Simulation Models of Industrial Systems

    E-Print Network [OSTI]

    industrial plant man- ually, which is time-consuming and error-prone. We propose to use a semi-automated models, industrial automation, SPARQL querying, design and integration 1 Introduction Modern industrialApplications of Ontologies for Assembling Simulation Models of Industrial Systems Petr Nov´ak1

  16. Analysis and Clustering of Model Clones: An Automotive Industrial Experience

    E-Print Network [OSTI]

    Cordy, James R.

    Analysis and Clustering of Model Clones: An Automotive Industrial Experience Manar H. Alalfi, James similarity in industrial automotive models. We apply our model clone detection tool, SIMONE, to identify and suggests better ways to maintain them. I. INTRODUCTION In todays automotive industry, models are widely

  17. 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.

  18. Economics of Energy Conservation in the Chemical and Petrochemical Industries 

    E-Print Network [OSTI]

    Nachod, J. E. Jr.

    1987-01-01

    of return. Usually the risk factor in energy savings projects is less than allocations for other uses. The categories of energy consumption on a chemical or petrochemical plant are defined. Distillation is often the largest energy consumer, hence..., offering the most promising area for investigation of energy savings. Other unit operations and well as changes in process operations are explored for potential energy savings. The use of cogeneration as a method for net energy savings is explored...

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

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

    Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Experiment-Based Model for the Chemical Interactions between...

  20. Nova Chemicals Reliance Industries JV | Open Energy Information

    Open Energy Info (EERE)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on QA:QA J-E-1 SECTION J APPENDIX ECoop Inc Jump to:Newberg, Oregon: EnergyNongqishiCleanAlinca Agricola eChemicals

  1. Voltage Sag-Related Upsets of Industrial Process Controls in Petroleum and Chemical Industries 

    E-Print Network [OSTI]

    Mansoor, A.; Key, T.; Woinsky, S.

    1998-01-01

    with PLC controls. The sensitivity of these process controls can stop an essential service motor required for a continuous process such as in a refinery or chemical plant. Typically the controls are sensitive to the common momentary voltage sag caused...

  2. 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 innovative (no n-monetary) policy instruments through evaluation and to develop approaches to model both conventional and innovative policies. The explicit modeling of barriers and decision making in the models seems a promising way to enable modeling of conventional and innovative policies. A modular modeling approach is essential to not only provide transparency, but also to use the available resources most effectively and efficiently. Many large models have been developed in the past, but have been abandoned after only brief periods of use. A development path based on modular building blocks needs the establishment of a flexible but uniform modeling framework. The leadership of international agencies and organizations is essential in the establishment of such a framework. A preference is given for ''softlinks'' between different modules and models, to increase transparency and reduce complexity. There is a strong need to improve the efficiency of data collection and interpretation efforts to produce reliable model inputs. The workshop participants support the need for the establishment of an (in-)formal exchanges of information, as well as modeling approaches. The development of an informal network of research institutes and universities to help build a common dataset and exchange ideas on specific areas is proposed. Starting with an exchange of students would be a relative low-cost way to start such collaboration. It would be essential to focus on specific topics. It is also essential to maintain means of regular exchange of ideas between researchers in the different focus points.

  3. Chemical and isotopic properties and origin of coarse airborne particles collected by passive samplers in industrial, urban, and rural environments

    E-Print Network [OSTI]

    Short, Daniel

    Chemical and isotopic properties and origin of coarse airborne particles collected by passive vehicle and industrial emissions, coal combustion (e.g. cooking, heating, power plants) represents

  4. MODELING DESIGN ACTIVITY IN AUTOMOBILE INDUSTRY Joo Ferreira1

    E-Print Network [OSTI]

    da Silva, Alberto Rodrigues

    The Automotive industry is changing drastically. Many companies are re-organizing, reengineering, downsizingMODELING DESIGN ACTIVITY IN AUTOMOBILE INDUSTRY João Ferreira1 , André Carvalho2 , João Pimentel3 and cost. The first step to achieve this goal is the Modeling Business Process using UML (industry standard

  5. Online Modeling in the Process Industry for Energy Optimization 

    E-Print Network [OSTI]

    Alexander, J.

    1988-01-01

    "This paper discusses how steady state models are being used in the process industry to perform online energy optimization of steam and electrical systems. It presents process demands commonly found in the processing industry in terms of steam...

  6. Benzene is an important industrial chemical (> 2 billion gallons produced annually in the

    E-Print Network [OSTI]

    California at Berkeley, University of

    Benzene is an important industrial chemical (> 2 billion gallons produced annually in the United leukemia (Snyder 2002). However, the mechanisms of benzene-induced hematotoxicity and leukemo- genesis further light on these mechanisms and better understand the risk benzene poses, we examined the effects

  7. 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 the main electricity consuming process in the chemical industry, next to oxygen and nitrogen production. We estimate final electricity use at 173 PJ (48 TWh) and fuel use of 38 PJ. Total primary energy consumption is estimated at 526 PJ (including credits for hydrogen export). The energy intensity is estimated at an electricity consumption of 4380 kWh/tonne chlorine and fuel consumption of 3.45 GJ/tonne chlorine, where all energy use is allocated to chlorine production. Assuming an average power generation efficiency of 33% the primary energy consumption is estimated at 47.8 GJ/tonne chlorine (allocating all energy use to chlorine).

  8. Spatio-temporal modelling of corrosion in an industrial furnace

    E-Print Network [OSTI]

    Little, John

    Spatio-temporal modelling of corrosion in an industrial furnace John Little, Michael Goldstein) 191 334 3051 Abstract Optimal inspection and maintenance of complex systems in modern industry-scale industrial furnace subject to corrosion will be considered. A suitable Bayesian spatio-temporal dynamic

  9. 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 industrial mitigation for sustainable development is discussed in Section 7.7. Section 7.8 discusses the sector's vulnerability to climate change and options for adaptation. A number of policies have been designed either to encourage voluntary GHG emission reductions from the industrial sector or to mandate such reductions. Section 7.9 describes these policies and the experience gained to date. Co-benefits of reducing GHG emissions from the industrial sector are discussed in Section 7.10. Development of new technology is key to the cost-effective control of industrial GHG emissions. Section 7.11 discusses research, development, deployment and diffusion in the industrial sector and Section 7.12, the long-term (post-2030) technologies for GHG emissions reduction from the industrial sector. Section 7.13 summarizes gaps in knowledge.

  10. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    Planta- tion Products and Paper Industry Council, Paper Industry, Confederationof European Paper Industries, Brussels, March 2001. CESP,

  11. Robust model-based fault diagnosis for chemical process systems 

    E-Print Network [OSTI]

    Rajaraman, Srinivasan

    2006-08-16

    Fault detection and diagnosis have gained central importance in the chemical process industries over the past decade. This is due to several reasons, one of them being that copious amount of data is available from a large ...

  12. AEROSOLS AND CLOUDS IN CHEMICAL TRANSPORT MODELS AND CLIMATE MODELS

    E-Print Network [OSTI]

    of Earth's climate system. Clouds are highly reflective in the solar spectrum, yet strongly absorbingAEROSOLS AND CLOUDS IN CHEMICAL TRANSPORT MODELS AND CLIMATE MODELS Ulrike Lohmann1 and Stephen E Forum: Perturbed Clouds in the Climate System, Frankfurt, Germany March 2-7, 2008 Environmental Sciences

  13. 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

  14. A Chemical Kinetic Model of Transcriptional Elongation

    E-Print Network [OSTI]

    Yujiro Richard Yamada; Charles S. Peskin

    2006-05-23

    A chemical kinetic model of the elongation dynamics of RNA polymerase along a DNA sequence is introduced. The proposed model governs the discrete movement of the RNA polymerase along a DNA template, with no consideration given to elastic effects. The model's novel concept is a ``look-ahead'' feature, in which nucleotides bind reversibly to the DNA prior to being incorporated covalently into the nascent RNA chain. Results are presented for specific DNA sequences that have been used in single-molecule experiments of the random walk of RNA polymerase along DNA. By replicating the data analysis algorithm from the experimental procedure, the model produces velocity histograms, enabling direct comparison with these published results.

  15. Early opportunities of CO? 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 CO? emission sources can reduce or even avoid the capture requirements and costs. Among these high-purity CO? 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 CO? per year, of which about 30% are emit high-purity and pure CO? (CO? 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 CO? capture and aquifer storage project in the coal chemistry industry ranges from 14 USD/t to 17 USD/t CO?. When a 15USD/t CO? tax and 20USD/t for CO? 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.

  16. Early opportunities of CO? 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 CO? emission sources can reduce or even avoid the capture requirements and costs. Among these high-purity CO? 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 CO?more »per year, of which about 30% are emit high-purity and pure CO? (CO? 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 CO? capture and aquifer storage project in the coal chemistry industry ranges from 14 USD/t to 17 USD/t CO?. When a 15USD/t CO? tax and 20USD/t for CO? 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

  17. Policy modeling for industrial energy use

    E-Print Network [OSTI]

    2003-01-01

    CO 2 Taxation in OECD . Energy Policy 29, no. 6 (2001): 489-Economic Activity. Energy Policy 6-7 28 pp.351-501 Worrell,and Paper Industry", Energy Policy, Vol. 25, Nos. 7-9, pp.

  18. Chemical Process Modeling in Modelica Ali Baharev Arnold Neumaier

    E-Print Network [OSTI]

    Neumaier, Arnold

    Chemical Process Modeling in Modelica Ali Baharev Arnold Neumaier Fakultät für Mathematik, Universität Wien Nordbergstraße 15, A-1090 Wien, Austria Abstract Chemical process models are highly for general-purpose chemical process modeling have been built. Multi- ple steady-states in ideal two

  19. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    for the European Pulp and Paper Industry, Confederation ofin food and pulp and paper industry wastes, turbines tocement, and pulp and paper industries and in the control of

  20. Continuous time Markov chain models for chemical reaction networks

    E-Print Network [OSTI]

    Kurtz, Tom

    Continuous time Markov chain models for chemical reaction networks David F. Anderson Departments Abstract A reaction network is a chemical system involving multiple reactions and chemical species exploit the representation of the stochastic equation for chemical reaction networks and, under what

  1. 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.

  2. Modeling Planarization in Chemical-Mechanical Leonard Borucki

    E-Print Network [OSTI]

    , 2002 Abstract A mathematical model for chemical-mechanical polishing is developed. The ef- fects of padModeling Planarization in Chemical-Mechanical Polishing Leonard Borucki , Dilek Alagoz , Stephanie and compared to experimental data. 1 Problem Description 1.1 Physical Problem Chemical-mechanical polishing

  3. Gamma and the chemical reaction model: fteen years after?

    E-Print Network [OSTI]

    Fradet, Pascal

    Gamma and the chemical reaction model: fteen years after? Jean-Pierre Ban^atre1, Pascal Fradet2 the formalism is to describe computation as a form of chemical reaction on a collection of individual pieces on unexpected applications of the chemical reaction model, showing that this paradigm has been a source

  4. 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.

  5. 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

  6. Scope for industrial applications of production scheduling models and

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    ERP Level 4 MES / CPM Production & Control Level 3 Control systems/sensors (DCS, PLC, SCADA, BMS management, planning, scheduling, quality control, recipe management, setpoint definition, integrationScope for industrial applications of production scheduling models and solution methods Iiro

  7. Update of XIS contamination model (1) chemical composition

    E-Print Network [OSTI]

    Nishikawa, Ken-Ichi

    Update of XIS contamination model (1) chemical composition The XIS0-3 contamination models (ae of the chemical composition at the XIS center was revised by (i) adding N to the XIS1 contaminant, (ii) adding PKS of XIS contamination model (2) spatial distribution The XIS0-3 contamination models (ae

  8. Uncertainties in Galactic Chemical Evolution Models

    E-Print Network [OSTI]

    Côté, Benoit; O'Shea, Brian W; Herwig, Falk; Pignatari, Marco; Jones, Samuel; Fryer, Chris

    2015-01-01

    We use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions, for a galaxy with properties similar to those of the Milky Way. We compiled several studies from the literature to gather the current constraints for our simulations regarding the typical value and uncertainty of seven basic parameters, which are: the lower and upper mass limit of the stellar initial mass function (IMF), the slope of the high-mass end of the stellar IMF, the slope of the delay-time distribution function of Type Ia supernovae (SNe Ia), the number of SNe Ia per solar mass formed, the total stellar mass formed, and the initial mass of gas of the galaxy. We derived a probability distribution function to express the range of likely values for every parameter, which were then included in a Monte Carlo code to run several hundred simulations with randomly selected input parameters. This approach enables us to analyze the predicted chemical evolution of ...

  9. Model documentation report: Industrial sector demand module of the National Energy Modeling System

    SciTech Connect (OSTI)

    NONE

    1997-01-01

    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 requirement of the Energy Information Administration (EIA) to provide adequate documentation in support of its models. 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. The NEMS Industrial Demand Model is a dynamic accounting model, bringing together the disparate industries and uses of energy in those industries, and putting them together in an understandable and cohesive framework. The Industrial Model generates mid-term (up to the year 2015) forecasts of industrial sector energy demand as a component of the NEMS integrated forecasting system. From the NEMS system, the Industrial Model receives fuel prices, employment data, and the value of industrial output. Based on the values of these variables, the Industrial Model passes back to the NEMS system estimates of consumption by fuel types.

  10. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    pp. IEA, 2006b: Industrial motor systems energy efficiency:industrial energy efficiency. Presented at Energy Efficiency in Motorenergy-efficient electric motors and motor-systems. These include: (1) industrial

  11. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    and waste management that take place within industrialpolicies Waste management policies can reduce industrialWaste management policies.56 7.10 Co-benefits of industrial

  12. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    R.R. ,et al. , 2004: Eco-industrial park initiatives in theCHP plant) form an eco-industrial park that serves as an ex-

  13. Chemical Organizations in a Toy Model of the Political System

    E-Print Network [OSTI]

    Dittrich, Peter

    Chemical Organizations in a Toy Model of the Political System Peter Dittrich1 and Lars Winter2,3 1 social phenomena, we discuss in this paper, whether and how the metaphor of a chemical reaction network of the political system inspired by Luhmann, we demonstrate how chemical organization theory can be applied and can

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

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

    -Hydrological-Mechanical-Chemical Model And Experiments For Optimization Of Enhanced Geothermal System Development And Production: Evaluation of Stimulation at the Newberry Volcano...

  15. A Tomato Detached Leaf Assay for Chemical Genomics of an HLB Model System

    E-Print Network [OSTI]

    Patne, S.; Eulgem, T.; Roose, M. L.

    2014-01-01

    Leaf Assay for Chemical Genomics of an HLB Model Systemapproach known as chemical genomics with Tomato “Psyllida model of HLB. Chemical genomics involves three key stages

  16. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    cement and pulp and paper industries in China, and in thePulp and Paper Industry, Confederation of European Paper Industries, Brussels, March 2001. CESP, 2004: China’pulp and paper industries (GOI, 2005). There are 39.8 million SMEs in China,

  17. Automated Verification of Model Transformations in the Automotive Industry

    E-Print Network [OSTI]

    Cordy, James R.

    Automated Verification of Model Transformations in the Automotive Industry Gehan M. K. Selim1 Verification, Automotive In- dustry 1 Introduction Model Driven Development (MDD) has been increasingly used of the Pays de la Loire Region (France), and by NSERC (Canada), as part of the NECSIS Automotive Partnership

  18. 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.

  19. 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.

  20. Document: P1332 Category: Physical Sciences, Chemical/Materials License Status: Available for licensing Texas Industry Cluster: Petroleum Refining & Chemical Products

    E-Print Network [OSTI]

    Lightsey, Glenn

    Description This technology describes an inexpensive, metallic, non-platinum-based fuel cell electrocatalyst for licensing Texas Industry Cluster: Petroleum Refining & Chemical Products Lower-cost fuel cells Problem The advantages of fuel-cell use are compelling. Fuel cells are cleaner and safer for the environment

  1. 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.

  2. Chemical and Biological Engineering Model Predictive Control: Background

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    == - - = -- --- = DC C V F CC B k V F k Ckk V F A Bs s AsAfs s As s = f1 = f2 etcCAux Asss C f x f A , 1 ,1 1 11Chemical and Biological Engineering Model Predictive Control: Background B. Wayne Bequette "windup" problems Does not explicitly require a process model #12;Chemical and Biological Engineering

  3. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    disposal routes, several countries have set incen- tives to promote the use of various wastes in industrial processes in direct

  4. Hydrodynamic model of Fukushima-Daiichi NPP Industrial site flooding

    E-Print Network [OSTI]

    Vaschenko, V N; Gerasimenko, T V; Vachev, B

    2014-01-01

    While the Fukushima-Daiichi was designed and constructed the maximal tsunami height estimate was about 3 m based on analysis of statistical data including Chile earthquake in 1960. The NPP project industrial site height was 10 m. The further deterministic estimates TPCO-JSCE confirmed the impossibility of the industrial site flooding by a tsunami and therefore confirmed ecological safety of the NPP. However, as a result of beyond design earthquake of 11 March 2011 the tsunami height at the shore near the Fukushima-Daiichi NPP reached 15 m. This led to flooding and severe emergencies having catastrophic environmental consequences. This paper proposes hydrodynamic model of tsunami emerging and traveling based on conservative assumptions. The possibility of a tsunami wave reaching 15 m height at the Fukushima-Daiichi NPP shore was confirmed for deduced hydrodynamic resistance coefficient of 1.8. According to the model developed a possibility of flooding is determined not only by the industrial site height, magni...

  5. 4.0 Application of Chemical Reaction Models Computerized chemical reaction models based on thermodynamic principles may be used to calculate

    E-Print Network [OSTI]

    4.0 Application of Chemical Reaction Models Computerized chemical reaction models based. The capabilities of a chemical reaction model depend on the models incorporated into its computer code is an equilibrium chemical reaction model. It was developed with EPA funding by originally combining

  6. Modelling of Industrial Processes for Polymer Extrusion and Injection Moulding

    E-Print Network [OSTI]

    Eindhoven, Technische Universiteit

    /Continuum Mechanics. Faculty: Mathematics and Computing Science. Eindhoven University of Technology (EUT) Our mainModelling of Industrial Processes for Polymer Melts: Extrusion and Injection Moulding Fons van de Ven Eindhoven University of Technology P.O.Box 513; 5600 MB Eindhoven, The Netherlands Abstract

  7. Model Transformations for Migrating Legacy Models: An Industrial Case Study

    E-Print Network [OSTI]

    Cordy, James R.

    as a standard to ease the process of integrating components provided by different suppliers and manufacturers different manufacturers and suppliers and enable exchangeability and interoper- ability among them. AUTOSAR) [2] has been developed as an industry standard to facilitate integration of software components from

  8. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    of its electricity requirements in the USA (US DOE, 2002)USA, where motor-driven systems account for 63% of industrial electricity

  9. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    increased use of biomass and energy efficiency improvements,Moreira, J. , 2006: Global biomass energy potential. Journal1971–2004 Notes 1) Biomass energy included 2) Industrial

  10. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    of Industrial Electrical Switchgear and Control Gear in the6 from use in electrical switchgear and magnesium processinggas insulated electrical switchgear, during the production

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

    SciTech Connect (OSTI)

    NONE

    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.

  12. En route to a multi-model scheme for clinker comminution with chemical grinding aids

    E-Print Network [OSTI]

    Mishra, R K; Carmona, H A; Wittel, F K; Sawley, M L; Weibel, M; Gallucci, E; Herrmann, H J; Heinz, H; Flatt, R J

    2015-01-01

    We present a multi-model simulation approach, targeted at understanding the behavior of comminution and the effect of grinding aids (GAs) in industrial cement mills. On the atomistic scale we use Molecular Dynamics (MD) simulations with validated force field models to quantify elastic and structural properties, cleavage energies as well as the organic interactions with mineral surfaces. Simulations based on the Discrete Element Method (DEM) are used to integrate the information gained from MD simulations into the clinker particle behavior at larger scales. Computed impact energy distributions from DEM mill simulations can serve as a link between large-scale industrial and laboratory sized mills. They also provide the required input for particle impact fragmentation models. Such a multi-scale, multi-model methodology paves the way for a structured approach to the design of chemical additives aimed at improving mill performance.

  13. 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.

  14. 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...

  15. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    Refining Cement Membrane separation Refinery gas Natural gasgas pressure Charcoal recovery, Byproduct gas combined cycle Scrap High strength steel Non-Ferrous Metals Chemicals Scrap Membrane separations,

  16. 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.

  17. 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 with the goals to avoid premature failure, to quantitatively manage corrosion over the entire life of high temperature process equipment, to select alloys for equipment and to assist in equipment maintenance programs. ASSET software operates on typical Windows-based (Trademark of Microsoft Corporation) personal computers using operating systems such as Windows 2000, Windows NT and Vista. The software is user friendly and contains the background information needed to make productive use of the software in various help-screens in the ASSET software. A graduate from a university-level curriculum producing a B.S. in mechanical/chemical/materials science/engineering, chemistry or physics typically possesses the background required to make appropriate use of ASSET technology. A training/orientation workshop, which requires about 3 hours of class time was developed and has been provided multiple times to various user groups of ASSET technology. Approximately 100 persons have been trained in use of the technology. ASSET technology is available to about 65 companies representing industries in petroleum/gas production and processing, metals/alloys production, power generation, and equipment design.

  18. 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.

  19. Chemical evolution of galaxies. I. A composition-dependent SPH model for chemical evolution and cooling

    E-Print Network [OSTI]

    Francisco J. Martínez-Serrano; Arturo Serna; Rosa Domínguez-Tenreiro; Mercedes Mollá

    2008-04-23

    We describe an SPH model for chemical enrichment and radiative cooling in cosmological simulations of structure formation. This model includes: i) the delayed gas restitution from stars by means of a probabilistic approach designed to reduce the statistical noise and, hence, to allow for the study of the inner chemical structure of objects with moderately high numbers of particles; ii) the full dependence of metal production on the detailed chemical composition of stellar particles by using, for the first time in SPH codes, the Qij matrix formalism that relates each nucleosynthetic product to its sources; and iii) the full dependence of radiative cooling on the detailed chemical composition of gas particles, achieved through a fast algorithm using a new metallicity parameter zeta(T) that gives the weight of each element on the total cooling function. The resolution effects and the results obtained from this SPH chemical model have been tested by comparing its predictions in different problems with known theoretical solutions. We also present some preliminary results on the chemical properties of elliptical galaxies found in self-consistent cosmological simulations. Such simulations show that the above zeta-cooling method is important to prevent an overestimation of the metallicity-dependent cooling rate, whereas the Qij formalism is important to prevent a significant underestimation of the [alpha/Fe] ratio in simulated galaxy-like objects.

  20. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    options for combined heat and power in Canada. Office ofpolicies to promote combined heat and power in US industry.conversions, such as combined heat and power and coke ovens,

  1. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    iron and steel production. IEA Greenhouse Gas R&D Programme,tempera- ture range. IEA/Caddet, Sittard, The Netherlands.industry. Cheltenham, UK, IEA Greenhouse Gas R&D Programme,

  2. Industry

    E-Print Network [OSTI]

    Bernstein, Lenny

    2008-01-01

    developing countries, like India, adoption of efficient electricitydeveloping countries the sugar in- dustry uses bagasse and the edible oils industry uses byproduct wastes to generate steam and/or electricity (

  3. 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.

  4. Rate of Industrial Conservation - Petroleum Refining, Chemicals and Pulp and Paper Manufacture 

    E-Print Network [OSTI]

    Prengle, H. W. Jr.; Golden, S. A.

    1979-01-01

    This paper considers three related questions: 1) What are the primary economic driving forces which determine the rate of industrial energy conservation? 2) How much industrial energy conservation has been achieved over 1972-1973 levels? 3) What...

  5. APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2005; 21:251263

    E-Print Network [OSTI]

    Shen, Haipeng

    APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2005; 21 and modelling call centre arrival data. A method is described for analysing such data using singular value, more formal statistical analysis. For example, a short- term forecasting model for call volumes

  6. APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2006; 22:297311

    E-Print Network [OSTI]

    Shen, Haipeng

    APPLIED STOCHASTIC MODELS IN BUSINESS AND INDUSTRY Appl. Stochastic Models Bus. Ind., 2006; 22 Non-parametric modelling of time-varying customer service times at a bank call centre Haipeng Shen1 are interested in modelling the time-varying pattern of average customer service times at a bank call centre

  7. REPRESENTING AEROSOL DYNAMICS AND PROPERTIES IN CHEMICAL TRANSPORT MODELS BY THE METHOD OF MOMENTS

    E-Print Network [OSTI]

    shortwave (solar) radiation, affecting climate (Charlson et al., 1992; Schwartz, 1996) and visibility this distribution and its evolution in chemical transport models. Atmospheric chemical transport models to date

  8. Cell Migration Model with Multiple Chemical Compasses

    E-Print Network [OSTI]

    Shuji Ishihara

    2013-01-29

    A simple model is proposed that describes the various morphodynamic principles of migrating cells from polar to amoeboidal motions. The model equation is derived using competing internal cellular compass variables and symmetries of the system. Fixed points for the $N = 2$ system are closely investigated to clarify how the competition among polaritors explains the observed morphodynamics. Response behaviors of cell--to--signal stimuli are also investigated. This model will be useful for classifying high-dimensional cell motions and investigating collective cellular behaviors.

  9. Atomistic Models for the absorption of Oil Production Chemicals on

    E-Print Network [OSTI]

    Goddard III, William A.

    Atomistic Models for the absorption of Oil Production Chemicals on Clay minerals Sungu Hwang, Mario The atomistic simulation of the minerals in oil production Prediction of the performance of the oil production: a model for oil -19 -18 -17 -16 -15 -14 0 0.2 0.4 0.6 0.8 1 Coverage Bindingenergyper adsorbate

  10. Establishing and Implementing a Waste Minimization Program in the Chemical and Oil Industries 

    E-Print Network [OSTI]

    Hollod, G. J.; Marton, R. J.

    1989-01-01

    chemicals and chemical processes, and are the best equipped to manage and reduce waste. It is the responsibility of all companies that manufacture a product or generate a waste to understand the meaning of proper waste management hierarchy, waste...

  11. Progress in Chemical Kinetic Modeling for Surrogate Fuels

    SciTech Connect (OSTI)

    Pitz, W J; Westbrook, C K; Herbinet, O; Silke, E J

    2008-06-06

    Gasoline, diesel, and other alternative transportation fuels contain hundreds to thousands of compounds. It is currently not possible to represent all these compounds in detailed chemical kinetic models. Instead, these fuels are represented by surrogate fuel models which contain a limited number of representative compounds. We have been extending the list of compounds for detailed chemical models that are available for use in fuel surrogate models. Detailed models for components with larger and more complicated fuel molecular structures are now available. These advancements are allowing a more accurate representation of practical and alternative fuels. We have developed detailed chemical kinetic models for fuels with higher molecular weight fuel molecules such as n-hexadecane (C16). Also, we can consider more complicated fuel molecular structures like cyclic alkanes and aromatics that are found in practical fuels. For alternative fuels, the capability to model large biodiesel fuels that have ester structures is becoming available. These newly addressed cyclic and ester structures in fuels profoundly affect the reaction rate of the fuel predicted by the model. Finally, these surrogate fuel models contain large numbers of species and reactions and must be reduced for use in multi-dimensional models for spark-ignition, HCCI and diesel engines.

  12. 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. It is possible to have confidence in the predictions of many of the existing models because of their fundamental physical and chemical mechanistic underpinnings and the extensive work already done to compare model predictions and empirical observations. The working group recommends that modeling tools be applied for benchmarking PBT/POPs according to exposure-to-emissions relationships, and that modeling tools be used to interpret emissions and monitoring data. The further development of models that couple fate, long-range transport, and bioaccumulation should be fostered, especially models that will allow time trends to be scientifically addressed in the risk profile.

  13. THE DIFFUSION OF VOLUNTARY INTERNATIONAL MANAGEMENT STANDARDS: RESPONSIBLE CARE, ISO 9000 and ISO 14001 IN THE CHEMICAL INDUSTRY

    E-Print Network [OSTI]

    Delmas, Magali A; Montiel, Ivan

    2007-01-01

    industry the SFI industry standard was launched by theLenox, 2000). Are industry standards actually effective inargument states that industry standards could provide

  14. Improving Cooling System Immunity Supply Voltage Sags in Petroleum and Chemical Industries 

    E-Print Network [OSTI]

    Dorr, D. S.

    2000-01-01

    Electrical service faults and voltage discontinuities are of growing concern in process industries where individual sensitive equipment or controls can disrupt the entire plant. In fact, just a minor variation in power for a fraction of a second can...

  15. Distributed Energy: Modeling Penetration in Industrial Sector Over the Long-Term 

    E-Print Network [OSTI]

    Greening, L.

    2006-01-01

    : Modeling Penetration in Industrial Sector over the Long-Term Lorna Greening, Private Consultant, Los Alamos, NM Distributed energy (DE) sources provide a number of benefits when utilized. For industrial facilities in the past, turbines have provided...

  16. 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.

  17. Hybrid modeling of industrial energy consumption and greenhouse gas emissions with an application to Canada

    E-Print Network [OSTI]

    Hybrid modeling of industrial energy consumption and greenhouse gas emissions with an application explore the implications for Canada's industrial sector of an economy-wide, compulsory greenhouse gas of the Canadian industrial sector to GHG charges implemented throughout the economy, starting in the year 2006

  18. World Congress on Industrial Process Tomography, Aizu, Japan Modelling and predicting flow regimes using wavelet

    E-Print Network [OSTI]

    Barber, Stuart

    4 th World Congress on Industrial Process Tomography, Aizu, Japan Modelling and predicting flow of Statistics, University of Leeds, Leeds, LS2 9JT, UK, robert@maths.leeds.ac.uk ABSTRACT The aim of industrial without intruding into the industrial process, but produce highly correlated and noisy data, and hence

  19. DYNAMIC MODEL OF AN INDUSTRIAL HEAT PUMP USING WATER AS REFRIGERANT

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    1 DYNAMIC MODEL OF AN INDUSTRIAL HEAT PUMP USING WATER AS REFRIGERANT CHAMOUN MARWAN to improve industrial energy efficiency, the development of a high temperature heat pump using water vapor as refrigerant is investigated. Technical problems restraining the feasibility of this industrial heat pump

  20. A Field Tested Model of Industrial Energy Conservation Assistance to Small Industries 

    E-Print Network [OSTI]

    Jendrucko, R. J.; Mitchell, D. S.; Snyder, W. T.; Symonds, F. W.

    1980-01-01

    industrial energy audits of Tennessee manufacturing firms from which over 150 feasible ECO's have been identified and analyzed. The process consists of the following steps: (1) Analyzing energy consumption and costs for a two year period; (2) Conducting a one...

  1. Potential for Energy Efficient Motors and Variable Speed Drives in the Petroleum and Chemical Industry 

    E-Print Network [OSTI]

    Fendley, K. A.; Pillay, P.

    1994-01-01

    This paper presents an in-depth survey of motors in a refinery and a chemical plant. The potential for energy and demand savings is then determined and hence the dollar savings using a sliding rate structure currently applicable to the petrochemical...

  2. 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.

  3. Characterization and Modeling of Chemical-Mechanical Polishing for Polysilicon Microstructures

    E-Print Network [OSTI]

    Tang, Brian D.

    Long the dominant method of wafer planarization in the integrated circuit (IC) industry, chemical-mechanical polishing is starting to play an important role in microelectromechnical systems (MEMS). We present an experiment ...

  4. 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.

  5. 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.

  6. Industrial Hygiene Exposure Predictor Model | Department of Energy

    Office of Environmental Management (EM)

    Track 3-2 Topics Covered: Aspects of an Industrial Hygiene Exposure Agreement Risk Assessment Considerations When is sampling appropriate and pertinent to the exposure...

  7. Quark number density at imaginary chemical potential and its extrapolation to large real chemical potential by the effective model

    E-Print Network [OSTI]

    Junichi Takahashi; Junpei Sugano; Masahiro Ishii; Hiroaki Kouno; Masanobu Yahiro

    2014-10-30

    We evaluate quark number densities at imaginary chemical potential by lattice QCD with clover-improved two-flavor Wilson fermion. The quark number densities are extrapolated to the small real chemical potential region by assuming some function forms. The extrapolated quark number densities are consistent with those calculated at real chemical potential with the Taylor expansion method for the reweighting factors. In order to study the large real chemical potential region, we use the two-phase model consisting of the quantum hadrodynamics model for the hadron phase and the entanglement-PNJL model for the quark phase. The quantum hadrodynamics model is constructed to reproduce nuclear saturation properties, while the entanglement-PNJL model reproduces well lattice QCD data for the order parameters such as the Polyakov loop, the thermodynamic quantities and the screening masses. Then, we calculate the mass-radius relation of neutron stars and explore the hadron-quark phase transition with the two-phase model.

  8. 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)

  9. ANALYTIC SOLUTIONS TO THE LOTKA-VOLTERRA MODEL FOR SUSTAINED CHEMICAL OSCILLATIONS

    E-Print Network [OSTI]

    Findley, Gary L.

    -1859. ABSTRACT The Lotka-Volterra (LV) model of oscillating chemical reactions, characterized by the rateANALYTIC SOLUTIONS TO THE LOTKA-VOLTERRA MODEL FOR SUSTAINED CHEMICAL OSCILLATIONS C. M. Evansa In this Review, we present analytic solutions to the Lotka-Volterra (LV) model for sustained chemical

  10. Engineering model reduction of bio-chemical kinetic David Csercsik, Katalin M. Hangos

    E-Print Network [OSTI]

    Gorban, Alexander N.

    Engineering model reduction of bio-chemical kinetic models D´avid Csercsik, Katalin M. Hangos, Hungary Significance and Aim Bio-chemical kinetic models of enzyme kinetic processes, as well reaction kinetic scheme. Therefore it is of great importance to develop bio-chemically meaningful

  11. A Novel Industry Grade Dataset for Fault Prediction based on Model-Driven Developed

    E-Print Network [OSTI]

    A Novel Industry Grade Dataset for Fault Prediction based on Model-Driven Developed Automotive a novel industry dataset on static software and change metrics for Matlab/Simulink models and their corresponding auto-generated C source code. The data set comprises data of three automotive projects developed

  12. Economic transition, industrial location and corporate networks: Remaking the Sunan Model in Wuxi City, China

    E-Print Network [OSTI]

    Wei, Yehua Dennis

    Economic transition, industrial location and corporate networks: Remaking the Sunan Model in Wuxi-9155, USA Keywords: Sunan model Economic restructuring Industrial location Corporate network Wuxi China a b of institutional changes, economic transition and spatial restructuring. TVEs have been replaced by do- mestic

  13. 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)

  14. Crystallographic and Modelling Studies of Industrially Relevant Metal Complexes 

    E-Print Network [OSTI]

    White, Fraser J

    2009-01-01

    Increasing the efficacy of ligands is crucial to many industrial processes and products. The design of new organic reagents which might find applications in automotive lubrication and extractive metallurgy are ...

  15. Model simplification of chemical kinetic systems under uncertainty

    E-Print Network [OSTI]

    Coles, Thomas Michael Kyte

    2011-01-01

    This thesis investigates the impact of uncertainty on the reduction and simplification of chemical kinetics mechanisms. Chemical kinetics simulations of complex fuels are very computationally expensive, especially when ...

  16. Modelling the chemical evolution in galaxies with KROME

    E-Print Network [OSTI]

    Bovino, Stefano; Capelo, Pedro R; Schleicher, Dominik R G; Banerjee, R

    2015-01-01

    In this paper we present and test chemical models for three-dimensional hydrodynamical simulations of galaxy evolution. The microphysics is modelled by employing the public chemistry package KROME and the chemical networks have been tested to work in a wide range of densities and temperatures. We describe a simple H/He network following the formation of H2, and a more sophisticated network which includes metals. Photochemistry, thermal processes, and different prescriptions for the H2 catalysis on dust are presented and tested within a simple one-zone framework. We explore the effect of changing some of the key parameters such as metallicity, radiation and non-equilibrium versus equilibrium metal cooling approximations on the transition between the different gas phases. We find that employing an accurate treatment of the dust-related processes induces a faster HI-H2 transition. In addition, we show when the equilibrium assumption for metal cooling holds, and how a non-equilibrium approach affects the thermal ...

  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. Open Innovation in Chemical Engineering The technological and business principles of Open Innovation in the chemical

    E-Print Network [OSTI]

    Engineering The technological and business principles of Open Innovation in the chemical industry: inventions in Closed and Open Innovation Open innovation business models in the chemical engineering. Open innovation companies working in the neighborhood of chemical engineering. Examples of open innovation in the chemical

  19. A reactive BGK-type model: influence of elastic collisions and chemical interactions

    E-Print Network [OSTI]

    Ceragioli, Francesca

    , Portugal Abstract. A BGK-type model for a reactive multicomponent gas undergoing chemical bimolecularA reactive BGK-type model: influence of elastic collisions and chemical interactions R. Monaco£ , M, as well as on common mean velocity and tempera- ture, is investigated with respect to chemical equilibrium

  20. Modeling Chemical Reactions with Single Reactant Specie Abhyudai Singh and Jo~ao Pedro Hespanha

    E-Print Network [OSTI]

    Hespanha, João Pedro

    Modeling Chemical Reactions with Single Reactant Specie Abhyudai Singh and Jo~ao Pedro Hespanha Abstract-- A procedure for constructing approximate stochastic models for chemical reactions involving involved in a chemical reaction as the continuous state of a polynomial Stochastic Hybrid System (p

  1. Department of Chemical and Petroleum Engineering

    E-Print Network [OSTI]

    Habib, Ayman

    Methane, Tight Gas ­ Chemical & Petrochemical Industries ­ Growing Biomedical Industry Broad, Flexible

  2. PERFORMANCE ANALYSIS OF INDUSTRIAL ETHERNET NETWORKS BY MEANS OF TIMED MODEL-CHECKING

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    technologies in manufacturing automation but they have not been specifically intended for industrial controlPERFORMANCE ANALYSIS OF INDUSTRIAL ETHERNET NETWORKS BY MEANS OF TIMED MODEL-CHECKING Daniel Witsch networks are promising for the harmonization of the communication technologies in manufacturing automation

  3. Industry Dynamics: Foundations For Models with an Infinite Number of Firms

    E-Print Network [OSTI]

    Van Roy, Ben

    Industry Dynamics: Foundations For Models with an Infinite Number of Firms Gabriel Y. Weintraub August, 2010 Abstract This paper explores the connection between three important threads of economic research offering different approaches to studying the dynamics of an industry with heterogeneous firms

  4. Industrial Sector Energy Efficiency Modeling (ISEEM) Framework Documentation

    E-Print Network [OSTI]

    Karali, Nihan

    2014-01-01

    of the Edmonds-Reilly Model to Energy Related Greenhouse GasCapros, P. , 1993, The PRIMES Energy System Model SummaryModel for Studying Economy-Energy-Environment Interactions,

  5. The Swedish Model: Balancing Markets and Gifts in the Music Industry

    E-Print Network [OSTI]

    Baym, Nancy K.

    2011-01-01

    The internet has destabilized media industries. This article uses the case of Swedish independent music labels, musicians, and fans to articulate one model for understanding the new roles each can take in this new context. ...

  6. Services and the Business Models of Product Firms: An Empirical Analysis of the Software Industry

    E-Print Network [OSTI]

    Suarez, Fernando F.

    Some product firms increasingly rely on service revenues as part of their business models. One possible explanation is that they turn to services to generate additional profits when their product industries mature and ...

  7. Model Discrimination of Chemical Reaction Networks by Linearization D. Georgiev, M. Fazel, and E. Klavins

    E-Print Network [OSTI]

    Fazel, Maryam

    Model Discrimination of Chemical Reaction Networks by Linearization D. Georgiev, M. Fazel, and E experiments that, with high probability, discriminate between competing models is desired. In particu- lar biochemical networks. Unfortunately, the model discrimination problem for such systems is computationally

  8. 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.

  9. 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.

  10. An adaptive reduction algorithm for efficient chemical calculations in global atmospheric chemistry models

    E-Print Network [OSTI]

    Santillana, Mauricio

    An adaptive reduction algorithm for efficient chemical calculations in global atmospheric chemistry: Atmospheric chemistry Multi-scale analysis Time-scale separation Reduction of chemical kinetics a b s t r a c of the concentrations of chemical species in global 3-D models of atmospheric chemistry. Our strategy consists

  11. Z .Chemical Geology 145 1998 153159 z /Geochemical Earth Reference Model GERM

    E-Print Network [OSTI]

    Langmuir, Charles H.

    Z .Chemical Geology 145 1998 153­159 z /Geochemical Earth Reference Model GERM : description on a chemical characterization of the Earth, its major reservoirs, and the fluxes between them. The Z .GERM chemical Z . Z .reservoirs of the present-day Earth, from core to atmosphere; 2 present-day fluxes between

  12. Chemical Engineering Journal 113 (2005) 205214 A detailed model of a biofilter for ammonia removal

    E-Print Network [OSTI]

    2005-01-01

    Chemical Engineering Journal 113 (2005) 205­214 A detailed model of a biofilter for ammonia removal Manresa, Spain b Department of Chemical and Environmental Engineering, University of California, Riverside, 92521 CA, USA c Department of Chemical Engineering, Universitat Aut`onoma de Barcelona, Edifici C, 08193

  13. Multiple equilibria in complex chemical reaction networks: extensions to entrapped species models

    E-Print Network [OSTI]

    Craciun, Gheorghe

    Multiple equilibria in complex chemical reaction networks: extensions to entrapped species models G of complex chemical reaction networks, taken with mass-action kinetics, to admit multiple equilibria.) In both papers, it was understood that the reactions were taking place in the context of what chemical

  14. Log-Domain Circuit Models of Chemical Reactions Soumyajit Mandal and Rahul Sarpeshkar

    E-Print Network [OSTI]

    Sarpeshkar, Rahul

    Log-Domain Circuit Models of Chemical Reactions Soumyajit Mandal and Rahul Sarpeshkar Department to networks of chemical reactions. Our circuits can be used for transient and steady-state simulations the energy barrier of a chemical reaction, exponentially changing its speed. In an analogous fashion, gate

  15. Models for Multi-Specie Chemical Reactions Using Polynomial Stochastic Hybrid Systems

    E-Print Network [OSTI]

    Hespanha, João Pedro

    Models for Multi-Specie Chemical Reactions Using Polynomial Stochastic Hybrid Systems Abhyudai for chemical reactions is presented. This is done by representing the population of various species involved in a chemical reaction as the continuous state of a polynomial Stochastic Hybrid System (pSHS). An important

  16. 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 Inefficiencies in the U.S. Chemical Industry, Industrial Technologies Program, DRAFT Summary...

  17. Modelling the chemical evolution of star forming filaments

    E-Print Network [OSTI]

    Seifried, D

    2015-01-01

    We present simulations of star forming filaments incorporating - to our knowledge - the largest chemical network used to date on-the-fly in a 3D-MHD simulation. The network contains 37 chemical species and about 300 selected reaction rates. For this we use the newly developed package KROME (Grassi et al. 2014). Our results demonstrate the feasibility of using such a complex chemical network in 3D-MHD simulations on modern supercomputers. We perform simulations with different strengths of the interstellar radiation field and the cosmic ray ionisation rate and find chemical and physical results in accordance with observations and other recent numerical work.

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

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

    (NREL) has developed a tool to estimate jobs and other economic impacts associated with offshore wind development in the United States. The modeling tool, which illustrates the...

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

    Energy Savers [EERE]

    developed a tool to estimate jobs and other economic impacts associated with offshore wind development in the United States. The modeling tool, which illustrates the potential...

  20. Mechanics, mechanisms, and modeling of the chemical mechanical polishing process

    E-Print Network [OSTI]

    Lai, Jiun-Yu

    2001-01-01

    The ever-increasing demand for high-performance microelectronic devices has motivated the semiconductor industry to design and manufacture Ultra-Large-Scale Integrated (ULSI) circuits with smaller feature size, higher ...

  1. 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.

  2. Modeling and Optimization of Next Generation Feedstock Development for Chemical Process

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    1929, 2011 #12;Motivation Energy Consumption by Manufacturing Industry 20061Industry, 20061 Primary for CPI · Utilize sun-light energy as carbon- based molecules · Renewable · Reduced CO2 emissions, USA PanAmerican Advanced Studies Institute Process Modeling and Optimization for Energy

  3. Characterization and modeling of polysilicon MEMS chemical-mechanical polishing

    E-Print Network [OSTI]

    Tang, Brian D. (Brian David), 1980-

    2004-01-01

    Heavily used in the manufacture of integrated circuits, chemical-mechanical polishing (CMP) is becoming an enabling technology for microelectromechanical systems (MEMS). To reliably use CMP in the manufacturing process, ...

  4. Log-domain circuit models of chemical reactions

    E-Print Network [OSTI]

    Mandal, Soumyajit

    We exploit the detailed similarities between electronics and chemistry to develop efficient, scalable bipolar or subthreshold log-domain circuits that are dynamically equivalent to networks of chemical reactions. Our ...

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

    SciTech Connect (OSTI)

    Saini, K. K.; Saini, Sanju [CDLM engg. College Panniwala Mota, Sirsa and Murthal, Sonipat, Haryana (India)

    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.

  6. 4 th World Congress on Industrial Process Tomography, Aizu, Japan Modelling and predicting flow regimes using wavelet

    E-Print Network [OSTI]

    Aykroyd, Robert G.

    4 th World Congress on Industrial Process Tomography, Aizu, Japan Modelling and predicting flow of Statistics, University of Leeds, Leeds, LS2 9JT, UK, robert@maths.leeds.ac.uk ABSTRACT The aim of industrial without intruding into the industrial process, but produce highly correlated and noisy data, and hence

  7. 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

    Consistent with the U.S. Food and Drug Administration (FDA) Critical Path Initiative, predictive toxicology software programs employing quantitative structure-activity relationship (QSAR) models are currently under evaluation for regulatory risk assessment and scientific decision support for highly sensitive endpoints such as carcinogenicity, mutagenicity and reproductive toxicity. At the FDA's Center for Food Safety and Applied Nutrition's Office of Food Additive Safety and the Center for Drug Evaluation and Research's Informatics and Computational Safety Analysis Staff (ICSAS), the use of computational SAR tools for both qualitative and quantitative risk assessment applications are being developed and evaluated. One tool of current interest is MDL-QSAR predictive discriminant analysis modeling of rodent carcinogenicity, which has been previously evaluated for pharmaceutical applications by the FDA ICSAS. The study described in this paper aims to evaluate the utility of this software to estimate the carcinogenic potential of small, organic, naturally occurring chemicals found in the human diet. In addition, a group of 19 known synthetic dietary constituents that were positive in rodent carcinogenicity studies served as a control group. In the test group of naturally occurring chemicals, 101 were found to be suitable for predictive modeling using this software's discriminant analysis modeling approach. Predictions performed on these compounds were compared to published experimental evidence of each compound's carcinogenic potential. Experimental evidence included relevant toxicological studies such as rodent cancer bioassays, rodent anti-carcinogenicity studies, genotoxic studies, and the presence of chemical structural alerts. Statistical indices of predictive performance were calculated to assess the utility of the predictive modeling method. Results revealed good predictive performance using this software's rodent carcinogenicity module of over 1200 chemicals, 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.

  8. 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.

  9. 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.

  10. DROP-SCALE NUMERICAL MODELING OF CHEMICAL PARTITIOING DURING CLOUD HYDROMETEOR FREEZING

    E-Print Network [OSTI]

    Stuart, Amy L.

    DROP-SCALE NUMERICAL MODELING OF CHEMICAL PARTITIOING DURING CLOUD HYDROMETEOR FREEZING A.L. Stuart freezing provide greatly varying estimates of the retention efficiency of volatile solutes (e.g., Lamb understanding of the dependence of partitioning on chemical properties and freezing conditions (Stuart

  11. A Two-Dimensional Model of Chemical Vapor Infiltration With Radio Frequency Heating

    E-Print Network [OSTI]

    Economou, Demetre J.

    by a finite element method to study carbon chemical vapor infiltration in a cylindrical carbon preformA Two-Dimensional Model of Chemical Vapor Infiltration With Radio Frequency Heating Vikas Midha studied. The power density distribution in the pre- form evolves in a complex manner as densified regions

  12. Experimental and modelling approaches for the assessment of chemical impacts of leachate migration

    E-Print Network [OSTI]

    Sheffield, University of

    Experimental and modelling approaches for the assessment of chemical impacts of leachate migration of landfill leachate migration on groundwater resources are conservative and generalised. Cost are evaluated as a combined approach for assessing the chem'ical impact of leachate migration in the Triassic

  13. Integrated Model for Production-Distribution Coordination in an Industrial Gases Supply-chain

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    and their demand/consumption profiles Max/Min inventory at production sites and customer locations Max and Respective Production limits Daily Electricity Prices (off-peak and peak) Customers and their demand/consumptionIntegrated Model for Production-Distribution Coordination in an Industrial Gases Supply-chain Pablo

  14. New Mass-Transfer Model for Simulating Industrial Nylon-6 Production Trains

    E-Print Network [OSTI]

    Liu, Y. A.

    for simulating industrial nylon-6 polymerization trains. In this model, both diffusion and boiling (bubble viscosity (FAV), polymer end-group concentration, and water extractables. The prediction errors for the direct-melt process are 2.81%, -3.13%, and -3.06% for FAV, water extractables, and amine end groups

  15. Structuring Measurements for Modeling and the Deployment of Industrial Wireless Networks

    E-Print Network [OSTI]

    Zilic, Zeljko

    . Replacing wired units with wireless sensor network (WSN) nodes offers more flexibility, and ultimately coverage during its deployment. Wireless networking devices are inherently power-limited, which limits1 Structuring Measurements for Modeling and the Deployment of Industrial Wireless Networks Rong

  16. Modeling Physical Quantities in Industrial Systems using Fluid Stochastic Petri Nets

    E-Print Network [OSTI]

    Gribaudo, Marco

    of a case study, in which the quantity to be regulated is a real fluid quantity: the fuel demand in a gas: Start Fuel Controller 2 Fluid Stochastic Petri Nets Fluid Stochastic Petri Nets are Petri net basedModeling Physical Quantities in Industrial Systems using Fluid Stochastic Petri Nets M. Gribaudo

  17. Industrial validation models 1 4/23/03 Experimental validation of new software technology

    E-Print Network [OSTI]

    Zelkowitz, Marvin V.

    Industrial validation models 1 4/23/03 Experimental validation of new software technology Marvin V When to apply a new technology in an organization is a critical decision for every software development organization. Earlier work defines a set of methods that the research community uses when a new technology

  18. Industrial motivation for interactive shape modeling: a case study in conceptual automotive design

    E-Print Network [OSTI]

    Toronto, University of

    Industrial motivation for interactive shape modeling: a case study in conceptual automotive design illus- trated within the space of conceptual automotive design. Automo- tive design provides a unique but automotive designers almost exclusively work with sketches, clay and other traditional media. Design

  19. 2014 Society of Chemical Industry and John Wiley & Sons, Ltd Correspondence to: Yogendra N. Shastri, Room 311, Department of Chemical Engineering, Indian Institute of Technology Bombay,

    E-Print Network [OSTI]

    -stage grinding process and the energy requirement and bulk densities for the particle sizes between 1 mm and 25 at the county-specific centralized storage and pre-processing facilities could reduce the costs by as much as $6. Shastri, Room 311, Department of Chemical Engineering, Indian Institute of Technology Bombay, Powai

  20. Linear Sigma Model at Finite Temperature and Baryonic Chemical Potential Using the Midpoint Technique

    E-Print Network [OSTI]

    M. Abu-Shady

    2014-03-13

    A baryonic chemical potential is included in the linear sigma model at finite temperature. The effective mesonic potential is numerically calculated using the midpoint technique. The meson masses are investigated as functions of the temperature at fixed value of baryonic chemical potential. The pressure and energy density are investigated as functions of temperature at fixed value of chemical potential. The obtained results are in good agreement in comparison with other techniques. We conclude that the calculated effective potential successfully predicts the meson properties and thermodynamic properties at finite baryonic chemical potential.

  1. Slurry abrasive particle agglomeration experimentation and modeling for chemical mechanical planarization (CMP)

    E-Print Network [OSTI]

    Johnson, Joy Marie

    2015-01-01

    A theoretical modeling approach is developed to predict silica-specific instability in chemical-mechanical polishing (CMP) slurries. In CMP, the formation of large agglomerates is of great concern, as these large particles ...

  2. 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.

  3. BEHAVIOURAL REALISM IN A TECHNOLOGY EXPLICIT ENERGY-ECONOMY MODEL: THE ADOPTION OF INDUSTRIAL COGENERATION IN CANADA

    E-Print Network [OSTI]

    COGENERATION IN CANADA by Nicholas J. Rivers B.Eng., Memorial University of Newfoundland, 2000 RESEARCH PROJECT: Behavioural realism in a technology explicit energy-economy model: The adoption of industrial cogeneration the results. The model showed that industrial cogeneration is a relatively unknown technology to many firms

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

    SciTech Connect (OSTI)

    Singh, Kunwar P., E-mail: kpsingh_52@yahoo.com [Academy of Scientific and Innovative Research, Council of Scientific and Industrial Research, New Delhi (India); Environmental Chemistry Division, CSIR-Indian Institute of Toxicology Research, Post Box 80, Mahatma Gandhi Marg, Lucknow 226 001 (India); Gupta, Shikha; Rai, Premanjali [Academy of Scientific and Innovative Research, Council of Scientific and Industrial Research, New Delhi (India); Environmental Chemistry Division, CSIR-Indian Institute of Toxicology Research, Post Box 80, Mahatma Gandhi Marg, Lucknow 226 001 (India)

    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 Brock–Dechert–Scheinkman 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 of the interspecies GRNN model to predict the carcinogenic potency of diverse chemicals. - Highlights: • Global robust models constructed for carcinogenicity prediction of diverse chemicals. • Tanimoto/BDS test revealed structural diversity of chemicals and nonlinearity in data. • PNN/GRNN successfully predicted carcinogenicity/carcinogenic potency of chemicals. • Developed interspecies PNN/GRNN models for carcinogenicity prediction. • Proposed models can be used as tool to predict carcinogenicity of new chemicals.

  5. Environmental fate and transport of chemical signatures from buried landmines -- Screening model formulation and initial simulations

    SciTech Connect (OSTI)

    Phelan, J.M.; Webb, S.W.

    1997-06-01

    The fate and transport of chemical signature molecules that emanate from buried landmines is strongly influenced by physical chemical properties and by environmental conditions of the specific chemical compounds. Published data have been evaluated as the input parameters that are used in the simulation of the fate and transport processes. A one-dimensional model developed for screening agricultural pesticides was modified and used to simulate the appearance of a surface flux above a buried landmine, estimate the subsurface total concentration, and show the phase specific concentrations at the ground surface. The physical chemical properties of TNT cause a majority of the mass released to the soil system to be bound to the solid phase soil particles. The majority of the transport occurs in the liquid phase with diffusion and evaporation driven advection of soil water as the primary mechanisms for the flux to the ground surface. The simulations provided herein should only be used for initial conceptual designs of chemical pre-concentration subsystems or complete detection systems. The physical processes modeled required necessary simplifying assumptions to allow for analytical solutions. Emerging numerical simulation tools will soon be available that should provide more realistic estimates that can be used to predict the success of landmine chemical detection surveys based on knowledge of the chemical and soil properties, and environmental conditions where the mines are buried. Additional measurements of the chemical properties in soils are also needed before a fully predictive approach can be confidently applied.

  6. MATHEMATICAL MODELS OF THERMAL AND CHEMICAL TRANSPORT IN GEOLOGIC MEDIA

    E-Print Network [OSTI]

    Lai, C.-H.

    2010-01-01

    in Hot Dry Rock Geothermal Systems, LA-9404-T, Los AlamosModeling of Geothermal Systems . . . . . . . . . . .the evolution of geothermal systems during exploitation.

  7. CONTINUOUS TIME MARKOV CHAIN MODELS FOR CHEMICAL REACTION NETWORKS

    E-Print Network [OSTI]

    Anderson, David F.

    classifications. 65L05, 65L06, 65L80, 90C30, 80A30 1. Introduction. The microscopic modeling of the dynamics

  8. Modeling the determinants of industry political power: industry winners in the Economic Recovery Tax Act of 1981 

    E-Print Network [OSTI]

    Kardell, Amy Louise

    2004-09-30

    This study uses qualitative comparative analysis (QCA) to examine the basis of industry political power by assessing conditions of economic interdependence and political action associated with the passage of the Economic ...

  9. A MODEL FOR PHYLOGENETIC INFERENCE USING STRUCTURAL AND CHEMICAL COVARIATES

    E-Print Network [OSTI]

    Naylor, Gavin

    in DNA sequence data was homogeneous across different classes of base pairs. DNA sequences for eight among all genes. A stochastic model of rate variation based on the interaction of the covariates. These results confirm that there are classes of base pairs that evolve differently, and suggest that models

  10. PROCESS MODELING AND CONTROL The Department of Chemical Engineering

    E-Print Network [OSTI]

    Lightsey, Glenn

    economic performance · MIMO (vs. SISO) models · Nonlinear (vs. linear) models · Stochastic variables.D. Graduates (2005 - 2008) Student/Supervisor Destination E. Hale (JQ) Ph.D. (8/05) NREL R. Chong (TFE) M.S. (8 (Emerson Process Management) · J. Lee (postdoc) ­ Various topics in multivariable control (e.g., multiloop

  11. 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.

  12. Modeling the chemical, diffusional, and thermal processes of a microreactor

    E-Print Network [OSTI]

    Silva, James Emanuel

    2012-01-01

    This thesis seeks to create a high fidelity model of the multiphysics present in a typical microreactor using propane combustion as a fuel source. The system is fully described by energy, momentum, and mass equations, all ...

  13. A Collaborative Model for a Sustainable Management System for Energy at Small to Medium Industrial Enterprises 

    E-Print Network [OSTI]

    Imel, M.; Gromacki, M.; Magoon, D.

    2009-01-01

    Model for a Sustainable Management System for Energy at Small to Medium Industrial Enterprises Mark Imel Technical Manager ? Energy Services Burns & McDonnell Kansas City, MO Michael Gromacki Vice President ? Engineering and Loss Control Cook.... CCP considers ANSI/MSE 2000:2008 as the framework for a sustainable energy management system to provide triple bottom line economic, environmental and societal benefits. CCP continues to improve their Energy Intensity Index, eco- efficiency...

  14. Evaluation of chemical-kinetics models for n-heptane combustion using a multidimensional CFD code

    E-Print Network [OSTI]

    Aggarwal, Suresh K.

    Evaluation of chemical-kinetics models for n-heptane combustion using a multidimensional CFD code September 2011 Accepted 20 October 2011 Available online 7 November 2011 Keywords: Heptane combustion-dimensional, CFD model known as UNICORN. The first mecha- nism is the San Diego (SD) mechanism (52 species and 544

  15. Thermo-chemical Modelling of Uranium-free Nitride Fuels Mikael JOLKKONEN1;;y

    E-Print Network [OSTI]

    Haviland, David

    be applied to modelling of oxide and carbide fuels as well. In this paper we give a brief introductionThermo-chemical Modelling of Uranium-free Nitride Fuels Mikael JOLKKONEN1;Ã;y , Marco STREIT2 and accepted December 22, 2003) A production process for americium-bearing, uranium-free nitride fuels

  16. 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 basis of computational results.

  17. 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.

  18. Innovative Energy Efficient Industrial Ventilation 

    E-Print Network [OSTI]

    Litomisky, A.

    2005-01-01

    This paper was written to describe an innovative “on-demand” industrial ventilation system for woodworking, metalworking, food processing, pharmaceutical, chemical, and other industries. Having analyzed existing industrial ventilation in 130...

  19. 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.

  20. 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.

  1. Detailed Modeling of Industrial Energy Use and Greenhouse Gas Emissions in an Integrated Assessment Model of Long-term Global Change 

    E-Print Network [OSTI]

    Sinha, P.; Wise, M.; Smith, S.

    2006-01-01

    Conference 2006 Session 11 – Industrial Energy Modeling: What is the State of the Art? Detailed Modeling of Industrial Energy Use and Greenhouse Gas Emissions in an Integrated Assessment Model of Long-term Global Change ParamitaSinha 1 MarshallWise 2* ,and...StevenSmith 2 1 UniversityofMaryland,CollegePark. 2 PacificNorthwestNationalLaboratory,JointGlobalChangeResearch Institute,CollegePark,MD. 1. Introduction Thispaperpresentsanewapproachtounderstandingthepotentiallong-termevolutionofenergy demandsinthe...

  2. Local Dosing in a 3-Mercaptopropionic Acid Chemically-Induced Epileptic Seizure Model with Microdialysis Sampling

    E-Print Network [OSTI]

    Mayer, Andrew Philip

    2010-12-31

    Dosing in a 3-Mercaptopropionic Acid Chemically-Induced Epileptic Seizure Model with Microdialysis Sampling By Andrew Philip Mayer B.A. Franklin and Marshall College Lancaster, PA, 2006 Submitted to the graduate degree program in Chemistry... ________________________________ Bob Dunn ________________________________ Michael Johnson ________________________________ Ivan Osorio Date Defended: November 23, 2010 ii The Dissertation Committee for Andrew Philip Mayer certifies that this is the approved...

  3. Heat transfer model of large shipping containers 1Chemical Engineering Department -Carnegie Mellon University

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    Forced convective heat transfer Solar radiation heat transfer Atmospheric radiation Natural convective number #12;Solar radiation heat transfer Heat transfer at the wall of the shipping container Direct solarHeat transfer model of large shipping containers 1Chemical Engineering Department - Carnegie Mellon

  4. FLUID DYNAMICAL AND MODELING ISSUES OF CHEMICAL FLOODING FOR ENHANCED OIL RECOVERY

    E-Print Network [OSTI]

    Daripa, Prabir

    of the objective functions in tertiary oil recovery by polymer flooding is the "op- timal" viscous profileFLUID DYNAMICAL AND MODELING ISSUES OF CHEMICAL FLOODING FOR ENHANCED OIL RECOVERY Prabir Daripa are succinctly summarized including characteri- zation of the optimal flooding scheme that leads to maximum oil

  5. Statistical modeling of spontaneous combustion in industrial-scale coal stockpiles

    SciTech Connect (OSTI)

    Ozdeniz, H [Selcuk University, Konya (Turkey). Dept. of Mining Engineering

    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. 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. A statistical model applicable for a spontaneous combustion event was developed during this study after applying multi-regression analyses to the data recorded in the stockpile during the spontaneous combustion event. The correlation coefficients obtained by the developed statistical model were measured approximately at a 0.95 level. Thus, the prediction of temperature variations influential in the spontaneous combustion event of the industrial-scale coal stockpiles will be possible.

  6. 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.

  7. 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.

  8. BEHAVIOURAL REALISM IN A TECHNOLOGY EXPLICIT ENERGY-ECONOMY MODEL: THE ADOPTION OF INDUSTRIAL COGENERATION IN CANADA

    E-Print Network [OSTI]

    COGENERATION IN CANADA Prepared for: OFFICE OF ENERGY EFFICIENCY NATURAL RESOURCES CANADA Prepared by: NIC choice model was estimated from the results. The model showed that industrial cogeneration is a relatively unknown technology to many firms. Among those that were familiar with cogeneration, its high

  9. On the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy Industry

    E-Print Network [OSTI]

    Victoria, University of

    On the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy On the Use of Computational Models for Wave Climate Assessment in Support of the Wave Energy Industry Effective, economic extraction of ocean wave energy requires an intimate under- standing of the ocean wave

  10. A Tomato Detached Leaf Assay for Chemical Genomics of an HLB Model System

    E-Print Network [OSTI]

    Patne, S.; Eulgem, T.; Roose, M. L.

    2014-01-01

    used successfully in many high- throughput chemical screensto identify chemicals inducing defense responses.In our study, we will test chemical uptake and its effect on

  11. 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.

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

    SciTech Connect (OSTI)

    Côté, Benoit; Martel, Hugo; Drissen, Laurent [Département de physique, de Génie Physique et d'Optique, Université Laval, Québec, QC G1V 0A6 (Canada)

    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.

  13. Assessment of Replicable Innovative Industrial Cogeneration Applicatio...

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

    and Power for Industry: A Market Assessment, August 2003 Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries...

  14. Robust Constrained Model Predictive Control using Linear Matrix Inequalities

    E-Print Network [OSTI]

    Balakrishnan, Venkataramanan "Ragu"

    , such as those encountered in chemical process control in the petrochemical, pulp and paper industries, several process models as well as many performance criteria of significance to the process industries can

  15. Prediction of the tool displacement for robot milling applications using coupled models of an industrial

    E-Print Network [OSTI]

    Stryk, Oskar von

    of an industrial robot and removal simulation E. Abele a.) , J. Bauer a.) , M. Pischan a.) , O. v. Stryk b.) , M (SIM), Hochschulstraße 10, 64289 Darmstadt stryk@sim.tu-darmstadt.de Abstract: Industrial robots, especially under process force load due to the high mechanical compliance, restrict the use of industrial

  16. Model Documentation Report: Industrial Sector Demand Module of the National Energy Modeling System

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet)DecadeYear Jan Feb Mar Apr 2012DecadeTotal19FuelYear JanFeet) Working4) Model

  17. A saddle in a corner - a model of collinear triatomic chemical reactions

    E-Print Network [OSTI]

    L. Lerman; V. Rom-Kedar

    2011-11-08

    A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently developed tools for studying systems with steep potentials and the study of the phase space structure near a center-saddle equilibrium. The nontrivial dependence of the reaction rates on parameters, initial conditions and energy is thus qualitatively explained. Conditions under which the phase space transition state theory assumptions are satisfied and conditions under which these fail are derived.

  18. 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.

  19. A Process Reference Model for Reuse in Industrial Engineering: Enhancing the ISO/IEC 15504 Framework to Cope with Organizational Reuse Maturity

    E-Print Network [OSTI]

    Mössenböck, Hanspeter

    A Process Reference Model for Reuse in Industrial Engineering: Enhancing the ISO/IEC 15504 in industrial engineering for solution providers is more and more recognized as a key to economic success for reuse in industrial engineering. Based on an overview and the background of the GDES-Reuse improvement

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

    SciTech Connect (OSTI)

    Drewitz, Alexander; Ráth, Balázs; Sapozhnikov, Artëm

    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 Cerný and Popov [“On the internal distance in the interlacement set,” Electron. J. Probab. 17(29), 1–25 (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), 1036–1048 (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.

  1. Nuclear lattice model and the electronic configuration of the chemical elements

    E-Print Network [OSTI]

    Jozsef Garai

    2015-07-07

    The fundamental organizing principle resulting in the periodic table is the nuclear charge. Arranging the chemical elements in an increasing atomic number order, a symmetry pattern known as the Periodic Table is detectable. The correlation between nuclear charge and the Periodic System of the Chemical Elements (PSCE) indicates that the symmetry emerges from the nucleus. Nuclear symmetry can only exist if the relative positions of the nucleons in the nucleus are invariant. Pauli exclusion principle can also be interpreted as the nucleons should occupy a lattice position. Based on symmetry and other indicatives face centered cubic arrangement have been proposed for the nuclear lattice. A lattice model, representing the protons and the neutrons by equal spheres and arranging them alternately in a face centered cubic structure forming a double tetrahedron, is able to reproduce all of the properties of the nucleus including the quantum numbers and the periodicity of the elements. Based on the geometry of the nuclear structure it is shown that when a new 'layer' of the nuclear structure starts then the distance between the first proton in the new layer and the charge center of the nucleus is smaller than the distance of the proton, which completed the preceding 'layer'. Thus a new valence electron shell should start to develop when the nuclear structure is expanded. The expansion of the double tetrahedron FCC nuclear lattice model offers a feasible physical explanation how the nucleus affects the electronic configuration of the chemical elements depicted by the periodic table.

  2. 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.

  3. A unified algorithm for predicting partition coefficients for PBPK modeling of drugs and environmental chemicals

    SciTech Connect (OSTI)

    Peyret, Thomas [DSEST, Universite de Montreal, Canada H3T 1A8 (Canada); Poulin, Patrick [Consultant, 4009 rue Sylvia Daoust, Quebec City, Quebec, G1X 0A6 (Canada); Krishnan, Kannan, E-mail: kannan.krishnan@umontreal.ca [DSEST, Universite de Montreal, H3T 1A8 (Canada)

    2010-12-15

    The algorithms in the literature focusing to predict tissue:blood PC (P{sub tb}) for environmental chemicals and tissue:plasma PC based on total (K{sub p}) or unbound concentration (K{sub pu}) for drugs differ in their consideration of binding to hemoglobin, plasma proteins and charged phospholipids. The objective of the present study was to develop a unified algorithm such that P{sub tb}, K{sub p} and K{sub pu} for both drugs and environmental chemicals could be predicted. The development of the unified algorithm was accomplished by integrating all mechanistic algorithms previously published to compute the PCs. Furthermore, the algorithm was structured in such a way as to facilitate predictions of the distribution of organic compounds at the macro (i.e. whole tissue) and micro (i.e. cells and fluids) levels. The resulting unified algorithm was applied to compute the rat P{sub tb}, K{sub p} or K{sub pu} of muscle (n = 174), liver (n = 139) and adipose tissue (n = 141) for acidic, neutral, zwitterionic and basic drugs as well as ketones, acetate esters, alcohols, aliphatic hydrocarbons, aromatic hydrocarbons and ethers. The unified algorithm reproduced adequately the values predicted previously by the published algorithms for a total of 142 drugs and chemicals. The sensitivity analysis demonstrated the relative importance of the various compound properties reflective of specific mechanistic determinants relevant to prediction of PC values of drugs and environmental chemicals. Overall, the present unified algorithm uniquely facilitates the computation of macro and micro level PCs for developing organ and cellular-level PBPK models for both chemicals and drugs.

  4. Dual lattice representations for O(N) and CP(N-1) models with a chemical potential

    E-Print Network [OSTI]

    Bruckmann, Falk; Kloiber, Thomas; Sulejmanpasic, Tin

    2015-01-01

    We derive dual representations for O(N) and CP(N-1) models on the lattice. In terms of the dual variables the partition sums have only real and positive contributions also at finite chemical potential. Thus the complex action problem of the conventional formulation is overcome and using the dual variables Monte Carlo simulations are possible at arbitrary chemical potential.

  5. Proceedings of the Combustion Institute, Volume 29, 2002/pp. 711718 MODELING OF CHEMICAL AND MIXING EFFECTS ON METHANE

    E-Print Network [OSTI]

    Wooldridge, Margaret S.

    in which reaction rates are determined based on interaction between chemical reaction rates and mixing711 Proceedings of the Combustion Institute, Volume 29, 2002/pp. 711­718 MODELING OF CHEMICAL AND MIXING EFFECTS ON METHANE AUTOIGNITION UNDER DIRECT-INJECTION, STRATIFIED CHARGED CONDITIONS S. HONG,1 M

  6. Indoor Air Nuclear, Biological, and Chemical Health Modeling and Assessment System

    SciTech Connect (OSTI)

    Stenner, Robert D.; Hadley, Donald L.; Armstrong, Peter R.; Buck, John W.; Hoopes, Bonnie L.; Janus, Michael C.

    2001-03-01

    Indoor air quality effects on human health are of increasing concern to public health agencies and building owners. The prevention and treatment of 'sick building' syndrome and the spread of air-borne diseases in hospitals, for example, are well known priorities. However, increasing attention is being directed to the vulnerability of our public buildings/places, public security and national defense facilities to terrorist attack or the accidental release of air-borne biological pathogens, harmful chemicals, or radioactive contaminants. The Indoor Air Nuclear, Biological, and Chemical Health Modeling and Assessment System (IA-NBC-HMAS) was developed to serve as a health impact analysis tool for use in addressing these concerns. The overall goal was to develop a user-friendly fully functional prototype Health Modeling and Assessment system, which will operate under the PNNL FRAMES system for ease of use and to maximize its integration with other modeling and assessment capabilities accessible within the FRAMES system (e.g., ambient air fate and transport models, water borne fate and transport models, Physiologically Based Pharmacokinetic models, etc.). The prototype IA-NBC-HMAS is designed to serve as a functional Health Modeling and Assessment system that can be easily tailored to meet specific building analysis needs of a customer. The prototype system was developed and tested using an actual building (i.e., the Churchville Building located at the Aberdeen Proving Ground) and release scenario (i.e., the release and measurement of tracer materials within the building) to ensure realism and practicality in the design and development of the prototype system. A user-friendly "demo" accompanies this report to allow the reader the opportunity for a "hands on" review of the prototype system's capability.

  7. Lean supply chain in pharmaceutical industry : modeling and simulation of a SAP environment

    E-Print Network [OSTI]

    Hou, Billy

    2011-01-01

    The global pharmaceutical business environment has been rapidly changing and has more competitive. Competition in pharmaceutical industry extended far beyond the traditional battle field, research and development. Bayer ...

  8. 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

  9. 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 missing their targeted values by a significant amount for several of the study glasses. SHU is reviewing the fabrication of these glasses and the chemicals used in batching them to identify the source of these issues. The measured sulfate concentrations were all below their targeted values. This is expected, as the targeted concentrations likely exceeded the solubility limit for sulfate in these glass compositions. Some volatilization of sulfate may also have occurred during fabrication of the glasses. Measurements of the other oxides in the study glasses were reasonably close to their targeted values

  10. 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.

  11. 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.

  12. Modelling chemical degradation of concrete during leaching with rain and soil water types

    SciTech Connect (OSTI)

    Jacques, D., E-mail: djacques@sckcen.b [Belgian Nuclear Research Centre (SCK-CEN), Institute for Environment, Health, and Safety, Boeretang 200, B-2400 Mol (Belgium); Wang, L.; Martens, E.; Mallants, D. [Belgian Nuclear Research Centre (SCK-CEN), Institute for Environment, Health, and Safety, Boeretang 200, B-2400 Mol (Belgium)

    2010-08-15

    Percolation of external water through concrete results in the degradation of cement and changes the concrete pore water and solid phase composition. The assessment of long-term degradation of concrete is possible by means of model simulation. This paper describes simulations of chemical degradation of cement for different types of rain and soil water at an ambient earth surface temperature (10 {sup o}C). Rain and soil water types were derived using generic equations and measurement of atmospheric boundary conditions representative for North-Belgium. An up-to-date and consistent thermodynamic model is used to calculate the geochemical changes during chemical degradation of the concrete. A general pattern of four degradation stages was simulated with the third stage being the geochemically most complex stage involving reactions with calcium-silicate hydrates, AFm and AFt phases. Whereas the sequence of the dissolution reactions was relatively insensitive to the composition of the percolating water, the duration of the different reactions depends strongly on the percolating water composition. Major identified factors influencing the velocity of cement degradation are the effect of dry deposition and biological activity increasing the partial pressure of CO{sub 2(g)} in the soil air phase (and thus increasing the inorganic carbon content in the percolating water). Soil weathering processes have only a minor impact, at least for the relatively inert sandy material considered in this study.

  13. Chemical evolution in a model for the joint formation of quasars and spheroids

    E-Print Network [OSTI]

    Donatella Romano; Laura Silva; Francesca Matteucci; Luigi Danese

    2002-03-28

    Direct and indirect pieces of observational evidence point to a strong connection between high-redshift quasars and their host galaxies. In the framework of a model where the shining of the quasar is the episode that stops the formation of the galactic spheroid inside a virialized halo, it has been proven possible to explain the submillimetre source counts together with their related statistics and the local luminosity function of spheroidal galaxies. The time delay between the virialization and the quasar manifestation required to fit the counts is short and incresing with decresing the host galaxy mass. In this paper we compute the detailed chemical evolution of gas and stars inside virialized haloes in the framework of the same model, taking into account the combined effects of cooling and stellar feedback. Under the assumption of negligible angular momentum, we are able to reproduce the main observed chemical properties of local ellipticals. In particular, by using the same duration of the bursts which are required in order to fit the submillimetre source counts, we recover the observed increase of the Mg/Fe ratio with galactic mass. Since for the most massive objects the assumed duration of the burst is Tburst < 0.6 Gyr, we end up with a picture for elliptical galaxy formation in which massive spheroids complete their assembly at early times, thus resembling a monolithic collapse, whereas smaller galaxies are allowed for a more prolonged star formation, thus allowing for a more complicated evolutionary history.

  14. 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.

  15. Financial Impact of Good Condenser Vacuum in Industrial Steam Turbines: Computer Modeling Techniques 

    E-Print Network [OSTI]

    Viar, W. L.

    1984-01-01

    Industrial turbine throttle conditions are fixed by plant designs - materials of construction, steam requirements, etc. Condensing turbine exhaust conditions are limited by the atmosphere to which residual heat is rejected; and are fixed...

  16. Model for multi-strata safety performance measurements in the process industry 

    E-Print Network [OSTI]

    Keren, Nir

    2004-09-30

    of process safety elements within facilities; (2) benchmarking of process safety elements among facilities; and (3) use of incident data collection from various sources for industrial safety performance assessment. The methods presently available...

  17. Using a total landed cost model to foster global logistics strategy in the electronics industry

    E-Print Network [OSTI]

    Jearasatit, Apichart

    2010-01-01

    Global operation strategies have been widely used in the last several decades as many companies and industries have taken advantage of lower production costs. However, in choosing a location, companies often only consider ...

  18. Adapting to contradiction : competing models of organization in the United States organic foods industry

    E-Print Network [OSTI]

    Haedicke, Michael Anthony

    2008-01-01

    European market to genetically modified foods. She arguesfoods that many industry members felt were not compatible with organic agriculture, including ingredients made from genetically modifiedgenetically modified crops. Below, I discuss the distinction that co-op leaders make between food-

  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 room temperature. The results reveal that the flexural strength decreases significantly after heat treatment in very low oxygen partial pressure environments; however, in contrast, fracture toughness is increased by 30-40% when the oxygen partial pressure was decreased to 10{sup -20} to 10{sup -22} atm range. Fractographic studies show that microcracks developed at 800 oC upon hydrogen reduction are responsible for the decreased strength. To understand the role of microstructure on electrochemical performance, electrical impedance spectra from symmetric LSM/YSZ/LSM cells was de-convoluted to obtain the key electrochemical components of electrode performance, namely charge transfer resistance, surface diffusion of reactive species and bulk gas diffusion through the electrode pores. These properties were then related to microstructural features, such as triple-phase boundary length and tortuosity. From these experiments we found that the impedance due to oxygen adsorption obeys a power law with pore surface area, while the impedance due to charge transfer is found to obey a power-law with respect to triple phase boundary length. A model based on kinetic theory explaining the power-law relationships observed was then developed. Finally, during our EIS work on the symmetric LSM/YSZ/LSM cells a technique was developed to improve the quality of high-frequency impedance data and their subsequent de-convolution.

  20. Chemical Enrichment in Damped Lyman Alpha Systems From Hierarchical Galaxy Formation Models

    E-Print Network [OSTI]

    Katsuya Okoshi; Masahiro Nagashima; Naoteru Gouda; Satoshi Yoshioka

    2003-11-25

    We investigate chemical enrichment in Damped Lyman alpha (DLA) systems in the hierarchical structure formation scenario using a semi-analytic model of galaxy formation. The model developed by Nagashima, Totani, Gouda and Yoshii takes into account various selection effects on high-redshift galaxies and can show fundamental observational properties of galaxies, such as luminosity functions and number-magnitude/redshift relations. DLA systems offer the possibilities of measuring metal abundance more accurately than faint galaxies. For example, recent measurements of zinc abundance can provide good evidence for understanding the processes of metal pollution and star formation in DLA systems because zinc is virtually unaffected by dust depletion. Here we focus on this advantage for observation in order to explore the metallicity evolution in DLA systems at high redshifts. We can consistently show the metallicity evolution for reasonable models which also reproduce fundamental properties of local galaxy population. This result suggests that the chemical evolution of DLA systems can be consistently reconciled with the observational features of typical galaxies. We also investigate other properties of DLA systems (column density distribution and mass density of cold gas), and find that star formation in massive galaxies should be more active than that in low-mass ones. This is consistent with the results by Nagashima et al. and Cole et al. in which the star formation timescale is set by reproducing cold gas mass fraction in local spiral galaxies. Finally we discuss host galaxies associated with DLA systems. We conclude that they primarily consist of sub-L* and/or dwarf galaxies from the observations.

  1. 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.

  2. Two-Component Galactic Bulge Probed with Renewed Galactic Chemical Evolution Model

    E-Print Network [OSTI]

    Tsujimoto, Takuji

    2012-01-01

    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 (DTD) 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 (AGB) stars, is carefully considered in this study. This novel model first shows that the Galaxy feature tagged by the key elements, Mg, Fe, 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 (~-0.5) is formed with a relatively ...

  3. Molecular finite-size effects in stochastic models of equilibrium chemical systems

    E-Print Network [OSTI]

    Cianci, Claudia; Grima, Ramon

    2015-01-01

    The reaction-diffusion master equation (RDME) is a standard modelling approach for understanding stochastic and spatial chemical kinetics. An inherent assumption is that molecules are point-like. Here we introduce the crowded reaction-diffusion master equation (cRDME) which takes into account volume exclusion effects on stochastic kinetics due to a finite molecular radius. We obtain an exact closed form solution of the RDME and of the cRDME for a general chemical system in equilibrium conditions. The difference between the two solutions increases with the ratio of molecular diameter to the compartment length scale. We show that an increase in molecular crowding can (i) lead to deviations from the classical inverse square root law for the noise-strength; (ii) flip the skewness of the probability distribution from right to left-skewed; (iii) shift the equilibrium of bimolecular reactions so that more product molecules are formed; (iv) strongly modulate the Fano factors and coefficients of variation. These crowd...

  4. MODELING THE ATOMIC-TO-MOLECULAR TRANSITION AND CHEMICAL DISTRIBUTIONS OF TURBULENT STAR-FORMING CLOUDS

    SciTech Connect (OSTI)

    Offner, Stella S. R. [Department of Astronomy, Yale University, New Haven, CT 06511 (United States); Bisbas, Thomas G.; Viti, Serena [Department of Physics and Astronomy, University College London, Gower Street, London WC1E 6B (United Kingdom); Bell, Tom A., E-mail: stella.offner@yale.edu [Centro de Astrobiologia (CSIC-INTA), Carretera de Ajalvir, km 4, E-28850 Madrid (Spain)

    2013-06-10

    We use 3D-PDR, a three-dimensional astrochemistry code for modeling photodissociation regions (PDRs), to post-process hydrodynamic simulations of turbulent, star-forming clouds. We focus on the transition from atomic to molecular gas, with specific attention to the formation and distribution of H, C{sup +}, C, H{sub 2}, and CO. First, we demonstrate that the details of the cloud chemistry and our conclusions are insensitive to the simulation spatial resolution, to the resolution at the cloud edge, and to the ray angular resolution. We then investigate the effect of geometry and simulation parameters on chemical abundances and find weak dependence on cloud morphology as dictated by gravity and turbulent Mach number. For a uniform external radiation field, we find similar distributions to those derived using a one-dimensional PDR code. However, we demonstrate that a three-dimensional treatment is necessary for a spatially varying external field, and we caution against using one-dimensional treatments for non-symmetric problems. We compare our results with the work of Glover et al., who self-consistently followed the time evolution of molecule formation in hydrodynamic simulations using a reduced chemical network. In general, we find good agreement with this in situ approach for C and CO abundances. However, the temperature and H{sub 2} abundances are discrepant in the boundary regions (A{sub v} {<=} 5), which is due to the different number of rays used by the two approaches.

  5. Future scenarios for green chemical supply chains

    E-Print Network [OSTI]

    Arora, Vibhu, M. Eng. Massachusetts Institute of Technology

    2013-01-01

    We live in an age where industrial chemicals are central to the modem economy serving as the basis for all man-made fibers, life-science chemicals and consumer products. Owing to globalization, the industry has grown to ...

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

    E-Print Network [OSTI]

    Demou, Evangelia

    2010-01-01

    International Journal of LCA submitted. Schmidt, W. -P. ,to Chemicals with LCA: The Examples of Trichloroethylene andToxic Substances in the Frame of LCA-The Multi-Media Fate,

  7. 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.

  8. Global Optimization of Chemical Reactors and Kinetic Optimization

    E-Print Network [OSTI]

    ALHUSSEINI, ZAYNA ISHAQ

    2013-01-01

    Networks. Industrial & Engineering Chemistry Research. 2013;Models, Industrial & Engineering Chemistry. Glasser, D. ,networks. Industrial & Engineering Chemistry Research 2008a;

  9. Implications and mitigation of model mismatch and covariance contamination for hyperspectral chemical agent detection

    E-Print Network [OSTI]

    Niu, Sidi

    Most chemical gas detection algorithms for long-wave infrared hyperspectral images assume a gas with a perfectly known spectral signature. In practice, the chemical signature is either imperfectly measured and/or exhibits ...

  10. 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....

  11. An Industrial Network Flow Information Integration Model for Supply Chain Management and Intelligent Transportation

    E-Print Network [OSTI]

    Hsu, Cheng

    using digital connection is proposed to the field of industrial network flow control for application in a way comparable to an adaptive control panel administering an automated material handling system-factory network flows, such as material handling systems, the field of inter-factory network flow control lacks

  12. 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.

  13. Process Intensification - Chemical Sector Focus

    Office of Environmental Management (EM)

    with opportunity space in 76 chemicals, petroleum refining, plastics, forest products, oil and gas production, and food industries 77 among others. PI innovation could deliver...

  14. 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.

  15. 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 200°C. We have investigated the kinetics of hydrogen release from AB and from an AB-methyl cellulose (AB/MC) composite at temperatures of 160-300°C 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 ~20°C 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.

  16. 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.

  17. Survey Questionnaire on Environmental Management Practices: Summary of Results by Industry and practices

    E-Print Network [OSTI]

    Delmas, Magali A; Toffel, Michael W.

    2008-01-01

    the majority of the automotive industry respondents haverespondents in the automotive industry have successfullyElectrical Chemicals Automotive Machinery Industry Figure 3:

  18. Manufacturing industry challenges and responses to EU, California, and other product-targeted environmental regulations

    E-Print Network [OSTI]

    Kirschner, Michael

    2008-01-01

    PRELIMINARY DRAFT Manufacturing industry challenges andChemicals vs. Products Manufacturing industry’s purpose isindustry deals with manufacturing and other types of waste

  19. The DOE s In-Plant Training (INPLT) Model to Promote Energy Efficiency in the Industrial Sector

    SciTech Connect (OSTI)

    Alkadi, Nasr E [ORNL] [ORNL; Nimbalkar, Sachin U [ORNL] [ORNL; De Fontaine, Mr. Andre [United States Department of Energy (DOE), Industrial Technology Program] [United States Department of Energy (DOE), Industrial Technology Program; Schoeneborn, Fred C [ORNL] [ORNL

    2013-01-01

    In-Plant Training (INPLT) is a new model for developing energy efficiency expertise within the US manufacturing companies participating in the U.S. Department of Energy s (DOE s) Better Buildings, Better Plants Program-a nationwide initiative to drive a 25% reduction in industrial energy intensity in 10 years. INPLTs are designed to fill a market niche by providing hands on training in a real world manufacturing plant environment. Through INPLTs, participants from multiple manufacturing plants, supply chains, utilities, and other external stakeholders learn how to conduct energy assessments, use energy analysis tools to analyze energy saving opportunities, develop energy management systems, and implement energy savings projects. Typical INPLT events are led by DOE-certified Energy Experts and range from 2-4 days. Topics discussed include: identification of cross-cutting or system specific opportunities; introduction to ISO 50001 Energy Management Systems; and energy project implementation and replication. This model is flexible, and can be tailored to suit the needs of specific industries. The INPLTs are a significant departure from the traditional single plant energy assessment model previously employed by DOE. INPLTs shift the focus from the concept of a single-plant s energy profile to a broader focus on training and capacity building among multiple industrial participants. The objective is to enable trainees to identify, quantify, implement and replicate future energy saving projects without continued external assistance. This paper discusses the INPLT model and highlights some of the initial outcomes from the successfully delivered INPLTs and the overall impact in terms of numbers of plants/participants trained, impacted energy footprints, and potential replication of identified opportunities.

  20. 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.

  1. From Geometric Modeling to Product Data Models: Collaboration Between Engineering, Computer Science, and Industry at Leeds University

    E-Print Network [OSTI]

    Whitney, Daniel

    , and Industry at Leeds University Daniel E. Whitney, Liaison Scientist, Manufacturing Summary The Computer Aided Engineering Unit in the Mechanical Engineering Department at Leeds University has built its expertise mechanics. Before coming to Leeds, de Pennington was at the Philips Production Automation Department

  2. Presented at the 27th Leeds-Lyon Symposium on Tribology, Tribological Research: From Model Experiment to Industrial Problems: Mechanics, Materials Science, Physico-chemistry Lyon,

    E-Print Network [OSTI]

    Ã?agin, Tahir

    1 Presented at the 27th Leeds-Lyon Symposium on Tribology, Tribological Research: From Model Experiment to Industrial Problems: Mechanics, Materials Science, Physico-chemistry Lyon, France, September 5

  3. The following are appendices A, B1 and B2 of our paper, "Integrated Process Modeling and Product Design of Biodiesel Manufacturing", that appears in the Industrial and

    E-Print Network [OSTI]

    Liu, Y. A.

    Design of Biodiesel Manufacturing", that appears in the Industrial and Engineering Chemistry Research a Biodiesel Process Model To access NIST TDE Data Engine in Aspen Plus version 2006.5 or V7.0 Step 1. Enter

  4. Model-Based Control of Nonlinear Systems Subject to Sensor Data Losses: A Chemical Process Case Study

    E-Print Network [OSTI]

    Sontag, Eduardo

    Model-Based Control of Nonlinear Systems Subject to Sensor Data Losses: A Chemical Process Case, Los Angeles, CA 90095-1592, USA, davidmps@ucla.edu, pdc@seas.ucla.edu. Controller Process x Data feedback control of nonlinear uncertain systems subject to sensor data losses. We compare three different

  5. 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.

  6. 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.

  7. Noise-induced multistability in chemical systems: Discrete vs Continuum modeling

    E-Print Network [OSTI]

    Andrew Duncan; Shuohao Liao; Tomas Vejchodsky; Radek Erban; Ramon Grima

    2014-07-31

    The noisy dynamics of chemical systems is commonly studied using either the chemical master equation (CME) or the chemical Fokker-Planck equation (CFPE). The latter is a continuum approximation of the discrete CME approach. We here show that the CFPE may fail to capture the CME's prediction of noise-induced multistability. In particular we find a simple chemical system for which the CME's marginal probability distribution changes from unimodal to multimodal as the system-size decreases below a critical value, while the CFPE's marginal probability distribution is unimodal for all physically meaningful system sizes.

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

    E-Print Network [OSTI]

    Sathaye, J.

    2011-01-01

    de Beer, 1997. "Energy Efficient Technologies in Industry -Tracking Industrial Energy Efficiency and CO2 Emissions.and L. Price. 1999. Energy Efficiency and Carbon Dioxide

  9. Mathematical modeling of Fischer-Tropsch synthesis in an industrial slurry bubble column - article no. A 23

    SciTech Connect (OSTI)

    Nasim Hooshyar; Shohreh Fatemi; Mohammad Rahmani [University of Tehran (Iran)

    2009-07-01

    The increase in society's need for fuels and decrease in crude oil resources are important reasons to make more interest for both academic and industry in converting gas to liquids. Fischer-Tropsch synthesis is one of the most attractive methods of Gas-to-Liquids (GTL) processes and the reactor in which, this reaction occurs, is the heart of this process. This work deals with modeling of a commercial size slurry bubble column reactor by two different models, i.e. single bubble class model (SBCM) and double bubble class model (DBCM). The reactor is assumed to work in a churn-turbulent flow regime and the reaction kinetic is a Langmuir-Hinshelwood type. Cobalt-based catalyst is used for this study as it plays an important role in preparing heavy cuts and the higher yield of the liquid products. Parameter sensitivity analysis was carried out for different conditions such as catalyst concentration, superficial gas velocity, H{sub 2} over CO ratio, and column diameter. The results of the SBCM and DBCM revealed that there is no significant difference between single and double bubble class models in terms of temperature, concentration and conversion profiles in the reactor, so the simpler SBCM with less number of model parameters can be a good and reliable model of choice for analyzing the slurry bubble column reactors.

  10. 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.

  11. A Hybrid Model Based and Statistical Fault Diagnosis System for Industrial Process 

    E-Print Network [OSTI]

    Lin, Chen-Han

    2014-11-21

    This thesis presents a hybrid model based and statistical fault diagnosis system, which applied on the nonlinear three-tank model. The purpose of fault diagnosis is generating and analyzing the residual to find out the fault occurrence. This fault...

  12. Chemical Evolution

    E-Print Network [OSTI]

    Francesca Matteucci

    2007-04-05

    In this series of lectures we first describe the basic ingredients of galactic chemical evolution and discuss both analytical and numerical models. Then we compare model results for the Milky Way, Dwarf Irregulars, Quasars and the Intra-Cluster- Medium with abundances derived from emission lines. These comparisons allow us to put strong constraints on the stellar nucleosynthesis and the mechanisms of galaxy formation.

  13. header for SPIE use Laboratory Data and Model Comparisons of the Transport of Chemical

    E-Print Network [OSTI]

    Cal, Mark P.

    National Laboratories, Albuquerque, NM b New Mexico Institute of Mining and Technology, Socorro, NM to examine the breadth of conditions that impact chemical signature transport, from the buried location technologies for buried landmines or UXO. Chemical movement in soils is impacted by multiple, interdependent

  14. 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.

  15. TransCom model simulations of CH? and related species: linking transport, surface flux and chemical loss with CH? variability in the troposphere and lower stratosphere

    E-Print Network [OSTI]

    Patra, P. K.

    A chemistry-transport model (CTM) intercomparison experiment (TransCom-CH?) has been designed to investigate the roles of surface emissions, transport and chemical loss in simulating the global methane distribution. Model ...

  16. Modelling of two phase flow and application in industries CR/ARH | 20/12/2007 | Robert Bosch GmbH 2007. All rights reserved, also regarding any disposal, exploitation, reproduction, editing,

    E-Print Network [OSTI]

    Helluy, Philippe

    for industrial property rights. Modelling of cavitating flow Control volume liquid Steam and air bubbles Volume1 Modelling of two phase flow and application in industries CR/ARH | 20/12/2007 | © Robert Bosch, distribution, as well as in the event of applications for industrial property rights. Dr. Uwe Iben Robert Bosch

  17. Potential hazards to embryo implantation: A human endometrial in vitro model to identify unwanted antigestagenic actions of chemicals

    SciTech Connect (OSTI)

    Fischer, L.; Deppert, W.R. [Department of Obstetrics and Gynecology, University Hospital Freiburg (Germany)] [Department of Obstetrics and Gynecology, University Hospital Freiburg (Germany); Pfeifer, D. [Department of Hematology and Oncology, University Hospital Freiburg (Germany)] [Department of Hematology and Oncology, University Hospital Freiburg (Germany); Stanzel, S.; Weimer, M. [Department of Biostatistics, German Cancer Research Center, Heidelberg (Germany)] [Department of Biostatistics, German Cancer Research Center, Heidelberg (Germany); Hanjalic-Beck, A.; Stein, A.; Straßer, M.; Zahradnik, H.P. [Department of Obstetrics and Gynecology, University Hospital Freiburg (Germany)] [Department of Obstetrics and Gynecology, University Hospital Freiburg (Germany); Schaefer, W.R., E-mail: wolfgang.schaefer@uniklinik-freiburg.de [Department of Obstetrics and Gynecology, University Hospital Freiburg (Germany)

    2012-05-01

    Embryo implantation is a crucial step in human reproduction and depends on the timely development of a receptive endometrium. The human endometrium is unique among adult tissues due to its dynamic alterations during each menstrual cycle. It hosts the implantation process which is governed by progesterone, whereas 17?-estradiol regulates the preceding proliferation of the endometrium. The receptors for both steroids are targets for drugs and endocrine disrupting chemicals. Chemicals with unwanted antigestagenic actions are potentially hazardous to embryo implantation since many pharmaceutical antiprogestins adversely affect endometrial receptivity. This risk can be addressed by human tissue-specific in vitro assays. As working basis we compiled data on chemicals interacting with the PR. In our experimental work, we developed a flexible in vitro model based on human endometrial Ishikawa cells. Effects of antiprogestin compounds on pre-selected target genes were characterized by sigmoidal concentration–response curves obtained by RT-qPCR. The estrogen sulfotransferase (SULT1E1) was identified as the most responsive target gene by microarray analysis. The agonistic effect of progesterone on SULT1E1 mRNA was concentration-dependently antagonized by RU486 (mifepristone) and ZK137316 and, with lower potency, by 4-nonylphenol, bisphenol A and apigenin. The negative control methyl acetoacetate showed no effect. The effects of progesterone and RU486 were confirmed on the protein level by Western blotting. We demonstrated proof of principle that our Ishikawa model is suitable to study quantitatively effects of antiprogestin-like chemicals on endometrial target genes in comparison to pharmaceutical reference compounds. This test is useful for hazard identification and may contribute to reduce animal studies. -- Highlights: ? We compare progesterone receptor-mediated endometrial effects of chemicals and drugs. ? 4-Nonylphenol, bisphenol A and apigenin exert weak antigestagenic activity. ? SULT1E1 is a significant marker for endometrial antiprogestin effects. ? Ishikawa cells are a tissue-specific approach for characterization of SPRMs. ? Chemicals acting as progesterone receptor antagonists may exert antifertility effects.

  18. Industrial Relations

    E-Print Network [OSTI]

    Ulman, Lloyd

    1987-01-01

    S. Tannenbaum. Madison: Industrial 1955. The Rise of the N ai a Working Paper 8733 INDUSTRIAL RELATIONS L l o y d UlmanEconomic Theory and Doctrine INDUSTRIAL RELATIONS Two great

  19. Industrial Engineering Industrial Advisory Board

    E-Print Network [OSTI]

    Gelfond, Michael

    Industrial Engineering Industrial Advisory Board (IAB) #12;PURPOSE: The Texas Tech University - Industrial Engineering Industrial Ad- visory Board (IAB) is an association of professionals with a com- mon goal - promoting and developing the Texas Tech Department of Industrial Engineering and its students

  20. A FIELD STUDY OF THE INDUSTRIAL MODELING B.A. Foss B. Lohmann W. Marquardt

    E-Print Network [OSTI]

    Foss, Bjarne A.

    of Engineering Cybernetics, Norwegian University of Science and Technology, N-7034 Trondheim, Norway Process Engineering, RWTH Aachen University of Technology, D-52056 Aachen, Germany Abstract: This paper analyzes-based process technology such as model-based production plan- ning and scheduling, or model-based process op

  1. 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 [Southeast University (China). Key Laboratory of Clean Coal Power Generation and Combustion Technology of Ministry of Education

    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.

  2. A Mechanical Model for Erosion in Copper Chemical-Mechanical Polishing

    E-Print Network [OSTI]

    Noh, Kyungyoon

    The Chemical-mechanical polishing (CMP) process is now widely employed in the ultralarge scale integration chip fabrication. Due to the continuous advances in semiconductor fabrication technology and decreasing sub-micron ...

  3. Development of a Fast and Detailed Model of Urban-Scale Chemical and Physical Processing

    E-Print Network [OSTI]

    Prinn, Ronald G.

    A reduced form metamodel has been produced to simulate the effects of physical, chemical, and meteorological processing of highly reactive trace species in hypothetical urban areas, which is capable of efficiently simulating ...

  4. Mechanics,Mechanisms and Modeling of the Chemical Mechanical Polishing Process

    E-Print Network [OSTI]

    Noh, Kyungyoon

    The Chemical Mechanical polishing (CMP) process is now widely employed in the Integrated Circuit Fabrication. However, due to the complexity of process parameters on the material removal rate (MRR), mechanism of material ...

  5. Achieve Steam System Excellence: Industrial Technologies Program...

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

    in plant improvement projects. * Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries (1) defines the volume and...

  6. Industry Motivated Advancements of Current Combustion Instability Model: The Conversion of

    E-Print Network [OSTI]

    Flandro, Gary A.

    INSTABILITY CHARACTERISTICS IN GAS TURBINES ...................- 5 - 1.5. COMBUSTION INSTABILITYIndustry Motivated Advancements of Current Combustion Instability Model: The Conversion of Volume to thank Dr. Flandro. His eternal knowledge of Combustion Instability has resonated in this work and his

  7. CHP Modeling as a Tool for Electric Power Utilities to Understand Major Industrial Customers 

    E-Print Network [OSTI]

    Kumana, J. D.; Alanis, F. J.; Swad, T.; Shah, J. V.

    1997-01-01

    in understanding the available options and appropriate strategy is to properly understand the customers’ thermal and electric energy needs, and the existing Combined Heat and Power (CHP) system. This paper outlines an approach for developing such models at low cost...

  8. From International Computer Performance and Dependability Symposium, Erlangen, Germany, April 1995, pp.285 294 MODELING RECYCLE: A CASE STUDY IN THE INDUSTRIAL USE OF

    E-Print Network [OSTI]

    Illinois at Urbana-Champaign, University of

    85721 Center for Reliable and High-Performance Computing Coordinated Science Laboratory UniversityFrom International Computer Performance and Dependability Symposium, Erlangen, Germany, April 1995, pp.285 294 MODELING RECYCLE: A CASE STUDY IN THE INDUSTRIAL USE OF MEASUREMENT AND MODELING Luai M

  9. 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.

  10. 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.

  11. Simple multistage closed-(box+reservoir) models of chemical evolution: an application to the inner Galactic halo

    E-Print Network [OSTI]

    Caimmi, R

    2010-01-01

    Simple closed-box (CB) models of chemical evolution are extended on two respects: (i) simple closed-(box+reservoir) (CBR) models allowing gas outflow from the box into the reservoir or gas inflow into the box from the reservoir with same composition as the preexisting gas and rate proportional to the star formation rate, and (ii) simple multistage closed-(box+reservoir) (MCBR) models allowing different stages of evolution characterized by different inflow or outflow rates. The stellar initial mass function is assumed to be universal, and mass conservation holds for the whole system (box+reservoir) while it is violated for each subsystem (box and reservoir). The theoretical differential oxygen abundance distribution (TDOD) predicted by the model, under the assumption of instantaneous recycling, is a continuous broken line, where different slopes are related to different inflow rates. For an application of the model (a) a fictitious sample is built up from two distinct samples and taken as representative of the...

  12. Evaluation of Efficiency Activities in the Industrial Sector Undertaken in Response to Greenhouse Gas Emission Reduction Targets

    E-Print Network [OSTI]

    Price, Lynn

    2010-01-01

    In the pulp and paper industry, companies used biomass as athe pulp and paper industry, sawmills, chemicals,and carpet), other industry (paper and paperboard, rubber

  13. Business models and strategies in the video game industry : an analysis of Activision-Blizzard and Electronic Arts

    E-Print Network [OSTI]

    Lee, Ruri

    2013-01-01

    In recent years the video game industry has been of great importance in the business world beyond the role of a cultural medium. With its huge size and potential for more growth, the industry has attracted many newcomers. ...

  14. Hypergraphic Oriented Matroid Relational Dependency Flow Models of Chemical Reaction Networks

    E-Print Network [OSTI]

    Bailey, C G; Oliveira, J S

    2009-01-01

    In this paper we derive and present an application of hypergraphic oriented matroids for the purpose of enumerating the variable interdependencies that define the chemical complexes associated with the kinetics of non-linear dynamical system representations of chemical kinetic reaction flow networks. The derivation of a hypergraphic oriented matroid is obtained by defining a closure operator on families of n-subsets of signed multi-sets from which a "Z-module" is obtained. It has been observed that every instantiation of the closure operator on the signed multiset families define a matroid structure. It is then demonstrated that these structures generate a pair of dual matroids corresponding respectively to hyperspanning trees and hypercycles obtained from the corresponding directed hypergraphs. These structures are next systematically evaluated to obtain solution sets that satisfy systems of non-linear chemical kinetic reaction flow networks in the MAP Kinase cascade cell-signaling pathway.

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

    E-Print Network [OSTI]

    Sathaye, J.

    2011-01-01

    Technology Support Unit (ETSU), 1988. “High Level Control ofCircle Industries and SIRA (ETSU, 1988). The LINKman system

  16. Modeling and Analysis of Thread-Pools ? in an Industrial Communication Platform

    E-Print Network [OSTI]

    Yi, Wang

    the use of the Credo tool suite in order to capture the various aspects of thread pools and provide a general framework for their analysis. The Credo tool suite offers a methodology for the top-down design by the EU-project IST-33826 Credo: Modeling and analysis of evolutionary structures for distributed services

  17. Improving the Contribution of Economic Models in Evaluating Industrial Energy Efficiency Improvements 

    E-Print Network [OSTI]

    Laitner, J. A.

    2007-01-01

    Traditional representation of improved end-use efficiency in the manufacturing sector has tended to assume “a net cost” perspective. In other words, the assumption for many models is that any change within the energy end-use patterns must imply a...

  18. Structural-chemical modeling of transition of coals to the plastic state

    SciTech Connect (OSTI)

    A.M. Gyul'maliev; S.G. Gagarin [FGUP Institute for Fossil Fuels, Moscow (Russian Federation)

    2007-02-15

    The structural-chemical simulation of the formation of plastic state during the thermal treatment (pyrolysis, coking) of coals is based on allowance for intermolecular interactions in the organic matter. The feasibility of transition of coals to the plastic state is determined by the ratio between the onset plastic state (softening) and runaway degradation temperatures, values that depend on the petrographic composition and the degree of metamorphism of coals and the distribution of structural and chemical characteristics of organic matter. 33 refs., 8 figs., 2 tabs.

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

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

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

  20. Modelling Rates of Gasification of a Char Particle in Chemical Looping Combustion

    E-Print Network [OSTI]

    Saucedo, Marco A.; Dennis, John S.; Scott, Stuart A.

    2014-07-15

    Rates of gasification of lignite char were compared when gasification with CO2 was undertaken in a fluidised bed of either (i) an active Fe-based oxygen carrier used for chemical looping or (ii) inert sand. The kinetics of the gasification were...

  1. STRAIN-INDUCED STRUCTURAL CHANGES AND CHEMICAL REACTIONSII. MODELLING OF REACTIONS

    E-Print Network [OSTI]

    Meyers, Marc A.

    for large strains. It is analytically demonstrated that intense plastic deformation can accelerate chemical recently been shown experimentally that shear localization in plastic deformation of a reac- tive mixture of these reactions inside shear bands are pre- sented for Nb±Si and Ti±Si mixtures; a thermodynamic and kinetic

  2. Complex Chemistry in Star-Forming Regions: An Expanded Gas-Grain Warm-up Chemical Model

    E-Print Network [OSTI]

    Robin T. Garrod; Susanna L. Widicus Weaver; Eric Herbst

    2008-03-08

    Gas-phase processes were long thought to be the key formation mechanisms for complex organic molecules in star-forming regions. However, recent experimental and theoretical evidence has cast doubt on the efficiency of such processes. Grain-surface chemistry is frequently invoked as a solution, but until now there have been no quantitative models taking into account both the high degree of chemical complexity and the evolving physical conditions of star-forming regions. Here, we introduce a new gas-grain chemical network, wherein a wide array of complex species may be formed by reactions involving radicals. The radicals we consider (H, OH, CO, HCO, CH3, CH3O, CH2OH, NH and NH2) are produced primarily by cosmic ray-induced photodissociation of the granular ices formed during the colder, earlier stages of evolution. The gradual warm-up of the hot core is crucial to the formation of complex molecules, allowing the more strongly-bound radicals to become mobile on grain surfaces. This type of chemistry is capable of reproducing the high degree of complexity seen in Sgr B2(N), and can explain the observed abundances and temperatures of a variety of previously detected complex organic molecules, including structural isomers. Many other complex species are predicted by this model, and several of these species may be detectable in hot cores. Differences in the chemistry of high- and low-mass star-formation are also addressed; greater chemical complexity is expected where evolution timescales are longer.

  3. 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.

  4. Industrial Symbiosis and the Greening of the Industry in the UK: The Case of the National Industrial Symbiosis Programme 

    E-Print Network [OSTI]

    Albertini, Vivian

    2011-08-23

    Industrial Symbiosis is part of the emerging field of Industrial Ecology, a discipline that looks at natural ecosystems as models for the development of new industrial systems. As part of the recent efforts towards environmental sustainability, many...

  5. 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.

  6. 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.

  7. "A High Speed Laser Profiling Device for Refractory Lininig Thickness Measurements In a Gasifier with Cross-Cut to the Metals, Forest Products, Chemical and Power Generation Industries"

    SciTech Connect (OSTI)

    Michel Bonin; Tom Harvill; Jared Hoog; Don Holve; Alan Alsing; Bob Clark; Steve Hrivnak

    2007-11-01

    Process Metrix began this project with the intent of modifying an existing ranging system and combining the same with a specially designed optical scanner to yield three dimensional range images that could be used to determine the refractory lining thickness in a gasifier. The goal was to make these measurements during short outages while the gasifier was at or near operating temperature. Our initial estimates of the photon counts needed for the modulation-based range finder were optimistic, and we were forced to undertake a redesign of the range finder portion of the project. This ultimately created significant and unanticipated time delays that were exacerbated when Acuity Technologies, the subcontractor responsible for delivering the redesigned range finder, failed to deliver electrical components capable of meeting the specific range error requirements needed for accurate lining thickness measurement. An extensive search for an alternate, off-the-shelf solution was unsuccessful, and Process Metrix was forced to undertake the electronics development internally without project funds. The positive outcome of this effort is a documented set of range finder electronics that have exceptional accuracy, simplicity, temperature stability and detection limit; in sum a package perfectly suited to the measurement requirements and within our control. It is unfortunate yet understandable, given the time delays involved in reaching this milestone, that the Department of Energy decided not to continue the project to completion. The integration of this electronics set into the optomechanical hardware also developed within the scope of the project remains as follow-on project that Process Metrix will finish within the calendar year 2008. Testing in the gasifier is, at this point, not certain pending the award of additional funding needed for field trials. Eastman, our industrial partner in this project, remains interested in evaluating a finished system, and working together we will attempt to secure funding from alternate sources that have been referenced by our contract monitor. It remains our hope and goal to follow this project through to completion, thereby achieving the objectives outlined at the start of our effort.

  8. 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.

  9. Robust Constrained Model Predictive Control using Linear Matrix Inequalities \\Lambda

    E-Print Network [OSTI]

    Balakrishnan, Venkataramanan "Ragu"

    dynamical systems, such as those encountered in chemical process control in the petrochemical, pulp process models as well as many performance criteria of significance to the process industries can

  10. Chemical and Physical Properties of Nanomaterials for Model Catalytic Systems and Smart Polymer Membranes 

    E-Print Network [OSTI]

    Skiles, Stephanie Lyn

    2014-10-24

    . These systems can be developed and tested using model catalyst systems. Herein, two model systems were investigated: a supported cobalt nanoparticle catalyst and a bimetallic palladium-copper system. In the cobalt system, the smallest particles are oxidized...

  11. 24th European Photovoltaic Solar Energy Conference, Hamburg, Germany, Sept. 2009 HIGLY PREDICTIVE MODELLING OF ENTIRE SI SOLAR CELLS FOR INDUSTRIAL APPLICATIONS

    E-Print Network [OSTI]

    24th European Photovoltaic Solar Energy Conference, Hamburg, Germany, Sept. 2009 1 HIGLY PREDICTIVE Czochralski (Cz) silicon solar cells are assessed by means of highly predictive numerical modelling in two have simulations of industrial Si solar cells become highly predictive. Like in the analysis

  12. Enhancement of Chiral Symmetry Breaking from the Pion condensation at finite isospin chemical potential in a holographic QCD model

    E-Print Network [OSTI]

    Hiroki Nishihara; Masayasu Harada

    2014-01-13

    We study the pion condensation at finite isospin chemical potential using a holographic QCD model. By solving the equations of motion for the pion fields together with those for the iso-singlet scalar and iso-triplet vector meson fields, we show that the phase transition from the normal phase to the pion condensation phase is second order with the mean field exponent, and that the critical value of the isospin chemical potential $\\mu_I$ is equal to the pion mass, consistently with the result obtained by the chiral effective Lagrangian at $O(p^2)$. For higher chemical potential, we find a deviation, which can be understood as a higher order effect in the chiral effective Lagrangian. We investigate the $\\mu_I$-dependence of the chiral condensate defined by $\\tilde{\\sigma} \\equiv \\sqrt{ \\langle \\sigma \\rangle^2 + \\langle \\pi^a \\rangle^2 }$. We find that $\\tilde{\\sigma}$ is almost constant in the small $\\mu_I$ region, while it grows with $\\mu_I$ in the large $\\mu_I$ region. This implies that the strength of the chiral symmetry breaking is not changed for small $\\mu_I$: The isospin chemical potential plays a role to rotate the "vacuum angle" of the chiral circle $\\tan^{-1} \\sqrt{ \\langle \\pi^a \\rangle^2 / \\langle \\sigma \\rangle^2 } $ with keeping the "radius" $\\tilde{\\sigma}$ unchanged for small $\\mu_I$. For large $\\mu_I$ region, on the other hand, the chiral symmetry breaking is enhanced by the existence of $\\mu_I$.

  13. 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.

  14. Industrial Process Surveillance System

    DOE Patents [OSTI]

    Gross, Kenneth C. (Bolingbrook, IL); Wegerich, Stephan W (Glendale Heights, IL); Singer, Ralph M. (Naperville, IL); Mott, Jack E. (Idaho Falls, ID)

    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.

  15. Industrial process surveillance system

    DOE Patents [OSTI]

    Gross, Kenneth C. (Bolingbrook, IL); Wegerich, Stephan W. (Glendale Heights, IL); Singer, Ralph M. (Naperville, IL); Mott, Jack E. (Idaho Falls, ID)

    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.

  16. Chemical leukoderma

    E-Print Network [OSTI]

    O'Reilly, Kathryn E; Patel, Utpal; Chu, Julie; Patel, Rishi; Machler, Brian C

    2011-01-01

    the first report, to date, of chemical leukoderma that wasreview on biological, chemical and clinical aspects. Pigment4. Briganti S, et al. Chemical and instrumental approaches

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

    E-Print Network [OSTI]

    Rosenbaum, Ralph K.

    2010-01-01

    JRC) Ispra: Italy, 2003. RTI Methodology for predictingbiotransfer factors; RTI Project Number 08860.002.015,regression (hereafter called RTI model) which is recommended

  18. 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.

  19. Project Profile: Predictive Physico-Chemical Modeling of Intrinsic Degradation Mechanisms for Advanced Reflector Materials

    Broader source: Energy.gov [DOE]

    NREL, under the Physics of Reliability: Evaluating Design Insights for Component Technologies in Solar (PREDICTS) Program will be developing a physics-based computational degradation model to assess the kinetic oxidation rates; realistic model light attenuation and transport; and multi-layer treatment with variable properties Simulation based experimental design.

  20. 94 Chemical Engineering Education MICROMIXING EXPERIMENTS

    E-Print Network [OSTI]

    Hesketh, Robert

    94 Chemical Engineering Education MICROMIXING EXPERIMENTS In the Introductory Chemical Reaction aspects of chemical re- action engineering. A major priority in industrial reac- tors[1] is to optimize of the introductory undergraduate chemical reaction engineer- ing course, but the experiments described in this paper

  1. Engineering Part I: A Chemical Engineers Intro to the Dairy

    E-Print Network [OSTI]

    Chemical Engineering Part I: A Chemical Engineers Intro to the Dairy Industry US graduates of chemical engineering may have a lot of questions about whether they want a career in the US dairy industry. A greater focus will be presented on dairy processing where most chemical engineers are employed, either

  2. How Soil Organic Matter Composition Controls Hexachlorobenzene-Soil-Interactions: Adsorption Isotherms and Quantum Chemical Modelling

    E-Print Network [OSTI]

    Ahmed, Ashour; Kühn, Oliver

    2013-01-01

    Hazardous persistent organic pollutants (POPs) interact in soil with the soil organic matter (SOM) but this interaction is insufficiently understood at the molecular level. We investigated the adsorption of hexachlorobenzene (HCB) on soil samples with systematically modified SOM. These samples included the original soil, the soil modified by adding a hot water extract (HWE) fraction (soil+3 HWE and soil+6 HWE), and the pyrolyzed soil. The SOM contents increased in the order pyrolyzed soil soil soil+3 HWE soil+6 HWE. For the latter three samples this order was also valid for the HCB adsorption. The pyrolyzed soil adsorbed more HCB than the other samples at low initial concentrations, but at higher concentrations the HCB adsorption became weaker than in the samples with HWE addition. This adsorption behaviour combined with the differences in the chemical composition between the soil samples suggested that alkylated aromatic, phenol, and lignin monomer compounds contributed most to the HC...

  3. Appendix F. Chemicals Annual Site Environmental Report--2011

    E-Print Network [OSTI]

    Pennycook, Steve

    , pesticides, and industrial chemicals. Through the use of chemicals, we can increase food production, cure materials used for the construction of homes may contain chemicals such as formaldehyde (in some insulation

  4. 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.

  5. Modeling Regional Air Quality Using the Near-Explicit Master Chemical Mechanism 

    E-Print Network [OSTI]

    Li, Jingyi

    2014-08-01

    structure, allowing an explicit calculation of SOA formation from individual model species. Earlier attempts in this area were aimed at developing mechanisms for regional SOA using a small number of representative species (Griffin et al., 2002b; Griffin...

  6. High-Content Chemical and RNAi Screens for Suppressors of Neurotoxicity in a Huntington's Disease Model

    E-Print Network [OSTI]

    Wu, Chaohong

    To identify Huntington's Disease therapeutics, we conducted high-content small molecule and RNAi suppressor screens using a Drosophila primary neural culture Huntingtin model. Drosophila primary neurons offer a sensitive ...

  7. Steam systems in industry: Energy use and energy efficiency improvement potentials

    E-Print Network [OSTI]

    Einstein, Dan; Worrell, Ernst; Khrushch, Marta

    2001-01-01

    Handbook” Council of Industrial Boiler Owners, Burke, VA.Council of Industrial Boiler Owners (CIBO). 1998. PersonalBorras, T. 1998. "Improving Boilers and Furnaces." Chemical

  8. OTHER INDUSTRIES

    Office of Energy Efficiency and Renewable Energy (EERE)

    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...

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

    SciTech Connect (OSTI)

    Dash, Satyakam [Pennsylvania State Univ., University Park, PA (United States); Mueller, Thomas J. [Pennsylvania State Univ., University Park, PA (United States); Venkataramanan, Keerthi P. [Delaware Biotechnology Institute, Newark, DE (United States); Univ. of Delaware, Newark, DE (United States); Papoutsakis, Eleftherios T. [Delaware Biotechnology Institute, Newark, DE (United States); Univ. of Delaware, Newark, DE (United States); Maranas, Costas D. [Pennsylvania State Univ., University Park, PA (United States)

    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.

  10. Use Spread-Sheet Based CHP Models to Identify and Evaluate Energy Cost Reduction Opportunities in Industrial Plants 

    E-Print Network [OSTI]

    Kumana, J. D.

    2001-01-01

    CHP (for Combined Heat and Power) is fast becoming the internationally accepted terminology for describing the energy utilities generation and distribution systems in industrial plants. The term is all inclusive -boilers, fired heaters, steam...

  11. With its emphasis on problem-solving skills, quantitative analysis and teamwork, a chemical engineering education also provides an excellent

    E-Print Network [OSTI]

    Firestone, Jeremy

    , consulting, and management. Chemical Engineering What is Chemical Engineering? Chemical engineering deals, including the following: ENERGY: Chemical engineers work in all aspects of the energy industry developing. BIOTECHNOLOGY, PHARMACEUTICALS AND MEDICINE: Chemical engineers are pioneers in the application of genetic

  12. 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.

  13. 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.

  14. 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.

  15. Chemicals Industry Profile | Department of Energy

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

    along the Gulf Coast, where petroleum and natural gas feedstocks are available in refineries. Texas and Louisiana produce a majority of all primary petrochemicals. Production of...

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

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

    More Documents & Publications Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Bandwidth Study U.S....

  17. Qualitative Theory and Chemical Explanation

    E-Print Network [OSTI]

    Weisberg, Michael

    Abstract Roald Hoffmann and other theorists claim that we we ought to use highly idealized chemical modelsQualitative Theory and Chemical Explanation Michael Weisberg Stanford University February 15, 2003 ("qualitative models") in order to in- crease our understanding of chemical phenomena, even though other models

  18. 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.

  19. 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.

  20. 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.

  1. Molecular-level simulations of chemical reaction equilibrium and diffusion in slit and cylindrical nanopores: model dimerisation reactions

    E-Print Network [OSTI]

    Lisal, Martin

    Molecular-level simulations of chemical reaction equilibrium and diffusion in slit and cylindrical study of the effects of confinement on chemical reaction equilibrium and diffusion in both slit nanopores 1. Introduction The behaviour of chemical reactions confined in nanopores is of extensive

  2. Improving Steam System Performance: A Sourcebook for Industry...

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

    content of a solid. Dryers account for the largest end use of steam in the pulp and paper industry. 9 The chemical manufacturing, textiles, and food processing industries also...

  3. Industry Economist

    Broader source: Energy.gov [DOE]

    A successful candidate in this position will report to the Manager of Load Forecasting and Analysis of the Customer Services Organization. He/she serves as an industry economist engaged in load...

  4. Devices for collecting chemical compounds

    SciTech Connect (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.

  5. Modeling foreign economic policy in strategic setting: the automotive industry of the U.S. and Japan 

    E-Print Network [OSTI]

    Au-Young, Marie Lily

    2013-02-22

    . For this study, I examined a specific case study in which the U.S. was in a dispute with a foreign country and how the U.S. dealt with the situation. This particular dispute spans a timeline of 15 years and involves the automotive industry of Japan and the U...

  6. Improved Indoor Tracking Based on Generalized t-Distribution Noise Model

    E-Print Network [OSTI]

    Shuo, Liu; Le, Yin; Khuen, Ho Weng; Voon, Ling Keck

    2015-01-01

    objective function. Industrial & engineering chemistryfunction approac. Industrial & Engineering Chem- istrynoise model. Industrial & Engineering Chemistry Research,

  7. Quantifying Uncertainty in Chemical Systems Modeling M.T. Reagan1, H.N. Najm1, P.P. Pebay1, O.M. Knio2 and R.G. Ghanem2

    E-Print Network [OSTI]

    Frey, Pascal

    Quantifying Uncertainty in Chemical Systems Modeling M.T. Reagan1, H.N. Najm1, P.P. P´ebay1, O The Johns Hopkins University, Baltimore, MD 21218, USA Abstract. This study compares two techniques of Chemical Kinetics 1. Introduction Chemical kinetics computations require the specification of a number

  8. Integrating Bioprocesses into Industrial Complexes for Sustainable Development

    E-Print Network [OSTI]

    Pike, Ralph W.

    development by world organiza)ons, countries and industries. #12;Carbon Dioxide Sequestration (CCS, bio-sequestration, chemical sequestration) Life Cycle Assessment (LCA) Eco-Efficiency Analysis

  9. 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.

  10. Design of Industrial Process Refrigeration Systems 

    E-Print Network [OSTI]

    Witherell, W. D.

    1987-01-01

    of Cascade Refrigeration and Liquefaction Systems", Industrial Engineering Chemicals, Process Des. Develop., Vol. 13, No.4, 1974, pp. 421-433. 5. Cheng, W.B., and Mah, R.S.H., "Interactive Synthesis of Cascade Refrigeration Systems", Indus trial...

  11. Industrial Low Temperature Waste Heat Utilization 

    E-Print Network [OSTI]

    Altin, M.

    1981-01-01

    In this paper, some common and emerging techniques to better utilize energy in the chemical process industries are discussed. Temperature levels of waste heat available are pointed out. Emerging practices for further economical utilization of waste...

  12. A coupled THC model of the FEBEX in situ test with bentonite swelling and chemical and thermal osmosis

    E-Print Network [OSTI]

    Zheng, L.

    2012-01-01

    chemical analyses after dismantling section 29 of the FEBEXafter 1930 days when dismantling was performed (Samper etdata collected after the dismantling of heater 1 of the in

  13. Applications of contaminant fate and bioaccumulation models in assessing ecological risks of chemicals: A case study for gasoline hydrocarbons

    E-Print Network [OSTI]

    MacLeod, Matthew; McKone, Thomas E.; Foster, Karen L.; Maddalena, Randy L.; Parkerton, Thomas F.; Mackay, Don

    2004-01-01

    the composition of the gasoline inventory, and can beand exposure assessment for gasoline; Trent University:of Chemicals: A Case Study for Gasoline Hydrocarbons Matthew

  14. Biomass for the Dutch Chemical Opportunities for agriculture

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    Biomass for the Dutch Chemical Industry Opportunities for agriculture R. Blaauw J. van Haveren E. L International Certification Services EESV according to ISO 9001:2000. Title Biomass for the Dutch Chemical for biomass 18 3.1 General developments 18 3.2 Developments of the Dutch chemical industry towards a bio

  15. Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the U.S. Pulp and Paper Sector

    E-Print Network [OSTI]

    Xu, Tengfang

    2014-01-01

    Opportunities for the Pulp and Paper Industry (LBNL-2268E).in the U.S. Pulp and Paper Industry. Lawrence BerkeleyManagement in the Pulp and Paper Industry. Buehler, E. and

  16. Bottom-up Representation of Industrial Energy Efficiency Technologies in Integrated Assessment Models for the U.S. Pulp and Paper Sector

    E-Print Network [OSTI]

    Xu, Tengfang

    2014-01-01

    the U.S. Pulp and Paper Industry. Lawrence Berkeley NationalProfile of the Pulp and Paper Industry, 2 nd Edition. Officefor the Pulp and Paper Industry (No. LBNL-2268E). Berkeley,

  17. Energy Efficiency Improvement and Cost Saving Opportunities for the Pharmaceutical Industry. An ENERGY STAR Guide for Energy and Plant Managers

    E-Print Network [OSTI]

    Galitsky, Christina

    2008-01-01

    chemical processing industry, a pump impeller was reduceddata, 16% of pumps in use in industry are more than 20 yearsindustry/bestpractices/software.html Pump System Assessment

  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. 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 complex or 'recalcitrant' compounds will erroneously attribute a greater temperature sensitivity to those materials than they may actually possess.

  20. 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 1275–1935 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 0.8–1.6, 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.

  1. 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

  2. Carbon Emissions: Food Industry

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet)Decade Year-0ProvedDecade2,948California (MillionThousandChemicals IndustryFood

  3. Carbon Emissions: Paper Industry

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet)Decade Year-0ProvedDecade2,948California (MillionThousandChemicalsPaper Industry

  4. "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

  5. A New, Stochastic, Energy Model of the U.S. is Under Construction: SEDS and Its Industrial Structure 

    E-Print Network [OSTI]

    Roop, J. M.

    2009-01-01

    "A new energy model for the United States is currently being constructed by staff at five National Laboratories for the Office of Energy Efficiency and Renewable Energy at the Department of Energy. This new model, SEDS (Stochastic Energy Deployment...

  6. Chemical Engineering Strategic Plan: Draft 7/5/02 16 A. Biomolecular Engineering

    E-Print Network [OSTI]

    McCready, Mark J.

    Exxon-Mobil has had record profits and the chemical industries endure as one of the few with a positive

  7. Hayward Industries: Order (2010-CE-1110)

    Broader source: Energy.gov [DOE]

    DOE ordered Hayward Industries, Inc. to pay a $10,000 civil penalty after finding Hayward Industries had failed to certify that certain models of pool heaters comply with the applicable energy conservation standards.

  8. A coupled THC model of the FEBEX in situ test with bentonite swelling and chemical and thermal osmosis

    E-Print Network [OSTI]

    Zheng, L.

    2012-01-01

    aqueous etract data s19 base model model without protonationin section 28 data in section 19 base model model withoutthe base model. Page 43 of 54 inferred aqueous etract data

  9. MIT and Automotive Industries MIT Industry Brief

    E-Print Network [OSTI]

    Herr, Hugh

    MIT and Automotive Industries MIT Industry Brief MIT's Industrial Liaison Program (ILP) can bring@ilp.mit.edu, or visit http://ilp.mit.edu. MIT and Automotive Industries The Massachusetts Institute of Technology (MIT) is a leading center of research and education on topics important to the automotive industry and its suppliers

  10. 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 measures are available over time, which allows an estimation of technological change over a decade-long historical period. In particular, the report will describe new treatment of technological change in energy-climate modeling for this industry sector, i.e., assessing the changes in costs and energy-savings potentials via comparing 1994 and 2002 conservation supply curves. In this study, we compared the same set of mitigation measures for both 1994 and 2002 -- no additional mitigation measure for year 2002 was included due to unavailability of such data. Therefore, the estimated potentials in total energy savings and carbon reduction would most likely be more conservative for year 2002 in this study. Based upon the cost curves, the rate of change in the savings potential at a given cost can be evaluated and be used to estimate future rates of change that can be the input for energy-climate models. Through characterizing energy-efficiency technology costs and improvement potentials, we have developed and presented energy cost curves for energy efficiency measures applicable to the U.S. iron and steel industry for the years 1994 and 2002. The cost curves can change significantly under various scenarios: the baseline year, discount rate, energy intensity, production, industry structure (e.g., integrated versus secondary steel making and number of plants), efficiency (or mitigation) measures, share of iron and steel production to which the individual measures can be applied, and inclusion of other non-energy benefits. Inclusion of other non-energy benefits from implementing mitigation measures can reduce the costs of conserved energy significantly. In addition, costs of conserved energy (CCE) for individual mitigation measures increase with the increases in discount rates, resulting in a general increase in total cost of mitigation measures for implementation and operation with a higher discount rate. In 1994, integrated steel mills in the U.S. produced 55.

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

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

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

  12. 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...

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

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

    Energy U.S. Department of Energy Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries Steam System Opportunity...

  14. University at Buffalo (SUNY) Department of Industrial Engineering Scheduling Theory

    E-Print Network [OSTI]

    Nagi, Rakesh

    University at Buffalo (SUNY) Department of Industrial Engineering IE 661 Scheduling Theory Chapter 2 Rakesh Nagi Department of Industrial Engineering University at Buffalo (SUNY) #12;University at Buffalo (SUNY) Department of Industrial Engineering Chapter 2: Deterministic Models Preliminaries

  15. Biomonitoring for the photovoltaics industry

    SciTech Connect (OSTI)

    Bernholc, N.M.; Moskowitz, P.D.

    1995-07-01

    Biomonitoring often is used as a method for estimating the dose to an individual. Therefore, a parameter of measurement, or biomarkers must be identified. The purpose of this paper is to give an overview of biomonitoring protocols for metals used in the photovoltaics industry. Special attention is given to areas that often are skimmed over, to gain insights into some of the problems that may arise when these tasks are carried out. Biological monitoring can be used to determine current human exposures to chemicals, as well as to detect past exposures, and the effects that these exposures may have on human health. It is used in conjunction with environmental monitoring to describe more completely worker`s exposures to, and absorption of, chemicals in the workplace. Biological specimens (e.g., blood, hair or urine) are analyzed for chemical agents, metabolites, or for some specific effect on the person (Lowry 1994). Biomonitoring can assess a workers exposure to industrial chemicals by all routes including skin absorption and ingestion. Although the methodology still is in its infancy, in cases where the procedures have been developed, it can be an invaluable component of an ongoing program of industrial hygiene monitoring. Like any technology, there are limitations to its effectiveness because of a lack of knowledge, contamination of specimens, and the introduction of errors.

  16. Scale-up of continuous chemical synthesis systems

    E-Print Network [OSTI]

    Heider, Patrick Louis

    2013-01-01

    Continuous flow systems for chemical synthesis have become increasingly important in the pharmaceutical and fine chemical industry in the past decade. Initially, this work was confined primarily to microfluidic systems, ...

  17. 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.

  18. An Embedded Boundary Method for the Modeling of Unsteady Combustion in an Industrial GasFired Furnace \\Lambda

    E-Print Network [OSTI]

    Bell, John B.

    the simulation of an experimental natural gas­fired furnace are shown. 1 Introduction The ability to model the simulation of an experimental natural gas­fired furnace are shown. \\Lambda This work was performed under a a two­step scheme for natural gas combustion [30] coupled with a simplified turbulent kinetics model [6

  19. 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.

  20. Crystallinity and microstructure in Si films grown by plasma-enhanced chemical vapor deposition: A simple atomic-scale model validated by experiments

    SciTech Connect (OSTI)

    Novikov, P. L.; Le Donne, A.; Cereda, S.; Miglio, Leo; Pizzini, S.; Binetti, S.; Montalenti, F. [Dipartimento di Scienza dei Materiali and L-NESS, Universita di Milano-Bicocca, Via Cozzi 53, 20125 Milan (Italy); Rondanini, M.; Cavallotti, C. [Dipartimento di Chimica, Materiali, e Ingegneria Chimica 'G. Natta', Politecnico di Milano, Via Mancinelli 7, 20131 Milan (Italy); Chrastina, D.; Moiseev, T.; Kaenel, H. von; Isella, G. [Dipartimento di Fisica and L-NESS, Politecnico di Milano, Via Anzani 42, 22100 Como (Italy)

    2009-02-02

    A joint theoretical and experimental analysis of the crystalline fraction in nanocrystalline films grown by low-energy plasma enhanced chemical vapor deposition is presented. The effect of key growth parameters such as temperature, silane flux, and hydrogen dilution ratio is analyzed and modeled at the atomic scale, introducing an environment-dependent crystallization probability. A very good agreement between experiments and theory is found, despite the use of a single fitting parameter.

  1. 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.

  2. 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.

  3. Programmability of Chemical Reaction Networks

    E-Print Network [OSTI]

    Winfree, Erik

    Programmability of Chemical Reaction Networks Matthew Cook1 , David Soloveichik2 , Erik Winfree2 Chemical Reaction Networks (SCRNs), a for- mal model that considers a set of chemical reactions acting Logic Circuits, Vector Addition Systems, Petri Nets, Gate Implementability, Primitive Recursive

  4. Industry @ ALS

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory ofDid you notHeat Pumps Heat Pumpsfacility doe logoInIndustry @ ALS

  5. Industrial Permit

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformation CurrentHenry Bellamy,ImpactScientific andIndividualEvent Sign InIndustrial

  6. Industrial Users

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity ofkandz-cm11 Outreach Home Room NewsInformation CurrentHenry Bellamy,ImpactScientific andIndividualEvent SignIndustrial Users -

  7. Industry Economists

    Gasoline and Diesel Fuel Update (EIA)

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of Natural GasAdjustments (Billion Cubic Feet) Wyoming Dry Natural GasNatural GasEIA lowerslong4,Guide toHighHowIndustry

  8. AN ASSESSMENT OF DATA ON OUTPUT INDUSTRIAL SUB-SECTORS

    E-Print Network [OSTI]

    of that sub-sector. This typically includes the "resource" sub-sectors (chemicals, metals, pulp and paper of industry was considered a "sector" of the overall group known as Industry. Thus we spoke of the pulp and paper sector or the petroleum refining sector within industry. Because of increasing references

  9. Report on NCI symposium: comparison of mechanisms of carcinogenesis by radiation and chemical agents. II. Cellular and animal models

    SciTech Connect (OSTI)

    Fry, R.J.M.

    1984-01-01

    The point at which the common final pathway for induction of cancer by chemical carcinogens and ionizing radiation has not been identified. Although common molecular targets are suggested by recent findings about the role of oncogenes, the mechanism by which the deposition of radiation energy and the formation of adducts or other DNA lesions induced by chemicals affects the changes in the relevant targets may be quite different. The damage to DNA that plays no part in the transformation events, but that influences the stability of the genome, and therefore, the probability of subsequent changes that influence tumorigenesis may be more readily induced by some agents than others. Similarly, the degree of cytotoxic effects that disrupt tissue integrity and increase the probability of expression of initiated cells may be dependent on the type of carcinogen. Also, evidence was presented that repair of the initial lesions could be demonstrated after exposure to low-LET radiation but not after exposure to chemical carcinogens.

  10. Laboratory Safety Survey Chemical Hygiene Plan

    E-Print Network [OSTI]

    Ishida, Yuko

    Laboratory Safety Survey Chemical Hygiene Plan OFFICE OF ENVIRONMENTAL HEALTH AND SAFETY UNIVERSITY and charged? (if not, call UC Davis Fire Department). 17. Are sinks labeled "Industrial Water - Do Not Drink

  11. Tools for chemical synthesis in microsystems

    E-Print Network [OSTI]

    Jensen, Klavs F.

    Chemical synthesis in microsystems has evolved from simple proof-of-principle examples to become a general technique in academia and industry. Numerous such “flow chemistry” applications are now found in pharmaceutical and ...

  12. Chemical Kinetic Research on HCCI & Diesel Fuels | Department...

    Office of Environmental Management (EM)

    alternative fuel utilization: detailed kinetic combustion modeling & experimental testing Chemical Kinetic Modeling of Fuels Chemical Kinetic Research on HCCI & Diesel Fuels...

  13. Appendix F. Chemicals Oak Ridge Reservation Annual Site Environmental Report--2013

    E-Print Network [OSTI]

    Pennycook, Steve

    , housewares, pesticides, and industrial chemicals. Use of chemicals allows us to increase food production of humans. Building materials used for the construction of homes may contain chemicals such as formaldehyde

  14. Pollution prevention in electroplating industries

    SciTech Connect (OSTI)

    Altmayer, F. [Scientific Control Labs., Inc., Chicago, IL (United States)

    1995-09-01

    The electroplating industry utilizes numerous recovery-and-recycle techniques to return a portion or all of the process chemical to the origin. The most commonly practiced pollution prevention option in electroplating is the utilization of drag-out rinses. The typical plater will first evaluate the efficacy of drag-out rinsing; will determine if a viable, less polluting or nonpolluting substitute exists; and will make those changes before investing in recovery-and-recycle equipment. This chapter focuses on the equipment and chemical processes available for a pollution prevention program in electroplating.

  15. Introduction Actual Industrial Problems

    E-Print Network [OSTI]

    Nigam, Nilima

    Introduction Actual Industrial Problems What's needed? Is there really interesting mathematics in Industry? Can mathematicians contribute to society, and do we want to...? Nilima Nigam Department Mathematics in Industry #12;Introduction Actual Industrial Problems What's needed? Some controversial

  16. Mechanical & Industrial Engineering

    E-Print Network [OSTI]

    Mountziaris, T. J.

    Mechanical & Industrial Engineering 1 Welcome MIE Industrial Advisory Board October 15, 2010 #12;Mechanical & Industrial Engineering 2 MIE Dorothy Adams Undergraduate/Graduate Secretary David Schmidt Associate Professor & Graduate Program Director #12;Mechanical & Industrial Engineering 3 MIE James Rinderle

  17. Pulse combustion: Commercial, industrial, and residential applications. (Latest citations from the NTIS Bibliographic database). Published Search

    SciTech Connect (OSTI)

    Not Available

    1993-10-01

    The bibliography contains citations concerning the evolution of pulse combustion, the types of pulse combustion burners and their applications, and selected fuels utilized. Topics include fuel combustion efficiency, energy conversion and utilization technologies, modeling of chemical kinetics, and dynamics and thermal characteristics of pulse combustors. Pulse combustion systems for water heaters, gas furnaces, industrial and residential boilers, commercial cooking equipment, and space heating devices are presented. (Contains 250 citations and includes a subject term index and title list.)

  18. THE JOURNAL OF CHEMICAL PHYSICS 139, 121924 (2013) Generalized iterative annealing model for the action of RNA chaperones

    E-Print Network [OSTI]

    Thirumalai, Devarajan

    2013-01-01

    for Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA (Received 17 utilizes chemical energy of adenosine triphosphate hydrolysis to repeatedly bind and release misfolded and growing list of cellular functions have been shown to be con- trolled by RNA molecules.3

  19. Propagation and refraction of chemical waves generated by local periodic forcing in a reaction-diffusion model

    E-Print Network [OSTI]

    Yang, Lingfa

    City, Utah 84720, USA Lingfa Yang, Anatol M. Zhabotinsky, and Irving R. Epstein* Department on regional and global pollution has raised concern worldwide 6 . Global air pollution may be related to LPF by chemicals that arise from daily periodic urban activity and are transmitted from cities to remote areas

  20. Engineering Industrial & Systems

    E-Print Network [OSTI]

    Berdichevsky, Victor

    Industrial Engineering Department of Industrial & Systems Engineering Leslie Monplaisir, Ph powerful tool sets used in industry today. -Brent Gillett, BSIE 2007 Advanced Planning Engineer at BMW I is available at: http://ise.wayne.edu/bs-industrial/index What is Industrial Engineering? The industrial

  1. INDUSTRIAL ENGINEERING Industrial engineering is concerned

    E-Print Network [OSTI]

    INDUSTRIAL ENGINEERING Industrial engineering is concerned with looking at the "big picture" of systems that allow organizations and individuals to perform at their best. Industrial engineers bridge should be used and how they should be used. Industrial engineers design and run the factories and systems

  2. INDUSTRIAL ENGINEERING Industrial engineering is concerned

    E-Print Network [OSTI]

    INDUSTRIAL ENGINEERING Industrial engineering is concerned with looking at the "big picture" of systems that allow organizations and individuals to perform at their best. Industrial engineers bridge should be used and how they should be used. The focus of industrial engineering is on process improvement

  3. 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.

  4. 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.

  5. Energy Efficiency Improvement and Cost Saving Opportunities for the Petrochemical Industry - An ENERGY STAR(R) Guide for Energy and Plant Managers

    E-Print Network [OSTI]

    Neelis, Maarten

    2008-01-01

    used throughout the industry for pumps, compressors as wellIAC 2005). 11. Pumps In the chemical industry, about 26% ofindustry/bestpractices/software.html Pump System Assessment

  6. CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING

    E-Print Network [OSTI]

    Provancher, William

    CHEMICAL ENGINEERING AND MANUFACTURING CHEMICAL ENGINEERING Objective Chemical Engineers of chemicals. This lesson introduces students to one component of chemical engineering: food processing, and a chemical engineer 2. How chemical engineers are involved in food production 3. That chemical engineers need

  7. 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.

  8. working with industry Engineering and

    E-Print Network [OSTI]

    Greenaway, Alan

    into the following specialist institutes: Institute of Chemical Sciences Institute of Mechanical, Process and Energy energy · ultrafast photonics · quantum optics and information processing · nonlinear optics. We · micromechanics and condition monitoring · renewable energy modelling · carbon capture and storage Our institute

  9. 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 (Energy Systems); (Univ. of Connecticut); (CONVERGENT Science)

    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.

  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. chemical (CHE) CHE overview programs available

    E-Print Network [OSTI]

    Rohs, Remo

    phase relations and principles of material and energy balance for design, operation, and optimization) Principles of probability and statis- tics, random variables and random functions. Application to chemical- ments in the rubber industry. Recom- mended preparation: CHEM 322bL. 442 Chemical Reactor Analysis (4

  12. 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.

  13. Department of Energy, Environmental & Chemical Engineering

    E-Print Network [OSTI]

    Subramanian, Venkat

    Department of Energy, Environmental & Chemical Engineering Opportunities for Undergraduate Students laboratory is a good way to expand your classroom experience. department of energy, environmental & chemicalIndustryPlantTour.Thedepartmentoffers twoplanttourseachfall. Cover: International Experience Brazil 2012 in sugar can mill, Usina Ester, Campina, Brazil #12

  14. Recursive Modeling of Stateflow as Input/Output-Extended Automaton

    E-Print Network [OSTI]

    Kumar, Ratnesh

    for their offline analysis (testing/verification) or online analysis (monitoring), the Stateflow model must-time system and the translated model preserves all the discrete-time behaviors. This work complements our development tool for many industrial domains, such as power systems, aircraft, automotives and chemical plants

  15. Comparison of Bottom-Up and Top-Down Forecasts: Vision Industry Energy Forecasts with ITEMS and NEMS 

    E-Print Network [OSTI]

    Roop, J. M.; Dahowski, R. T

    2000-01-01

    Comparisons are made of energy forecasts using results from the Industrial module of the National Energy Modeling System (NEMS) and an industrial economic-engineering model called the Industrial Technology and Energy Modeling System (ITEMS), a model...

  16. Using chemical tracers in hillslope soils to estimate the importance of chemical denudation under

    E-Print Network [OSTI]

    Mudd, Simon Marius

    Using chemical tracers in hillslope soils to estimate the importance of chemical denudation under mass. The model includes both sediment transport and chemical denudation. A simplified two-phase model is developed; the two phases are a chemically immobile phase, which has far lower solubility than the bulk soil

  17. China's industrial sector in an international context

    SciTech Connect (OSTI)

    Price, Lynn; Worrell, Ernst; Martin, Nathan; Lehman, Bryan; Sinton, Jonathan

    2000-05-01

    The industrial sector accounts for 40% of global energy use. In 1995, developing countries used an estimated 48 EJ for industrial production, over one-third of world total industrial primary energy use (Price et al., 1998). Industrial output and energy use in developing countries is dominated by China, India, and Brazil. China alone accounts for about 30 EJ (National Bureau of Statistics, 1999), or about 23% of world industrial energy use. China's industrial sector is extremely energy-intensive and accounted for almost 75% of the country's total energy use in 1997. Industrial energy use in China grew an average of 6.6% per year, from 14 EJ in 1985 to 30 EJ in 1997 (Sinton et al., 1996; National Bureau of Statistics, 1999). This growth is more than three times faster than the average growth that took place in the world during the past two decades. The industrial sector can be divided into light and heavy industry, reflecting the relative energy-intensity of the manufacturing processes. In China, about 80% of the energy used in the industrial sector is consumed by heavy industry. Of this, the largest energy-consuming industries are chemicals, ferrous metals, and building materials (Sinton et al., 1996). This paper presents the results of international comparisons of production levels and energy use in six energy-intensive subsectors: iron and steel, aluminum, cement, petroleum refining, ammonia, and ethylene. The sectoral analysis results indicate that energy requirements to produce a unit of raw material in China are often higher than industrialized countries for most of the products analyzed in this paper, reflecting a significant potential to continue to improve energy efficiency in heavy industry.

  18. 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.

  19. 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 and their refined occupancies, with the fourth bound atom being a Cl atom (in the cisplatin case) or a portion of the CBDC moiety (in the carboplatin case)

  20. Model reaction for the in situ characterization of the hydrogenating and acid properties of industrial hydrocracking catalysts

    SciTech Connect (OSTI)

    Guisnet, M.; Thomazeau, C.; Lemberton, J.L. [Laboratoire de Catalyse en Chimie Organique, Poitiers (France)] [Laboratoire de Catalyse en Chimie Organique, Poitiers (France); Mignard, S. [Institut Francais du Petrole, Rueil-Malmaison (France)] [Institut Francais du Petrole, Rueil-Malmaison (France)

    1995-01-01

    A kinetic study of o-xylene transformation was carried out on a sulfided NiMo on Y zeolite catalyst during the hydrocracking of a model compound (n-heptane) under the following conditions of the process: high hydrogen pressure (5.7 MPa), presence of nitrogen and sulfur-containing compounds. o-Xylene inhibits n-heptane transformation, which can be explained by a competition for the adsorption on the acid sites between o-xylene and the olefinic intermediates of hydrocracking. The products of o-xylene transformation are the following: p- and m-xylenes (isomerization), toluene and trimethylbenzenes (disproportionation), and saturated C{sub 8} naphthenes (dimethylcyclohexane and trimethylcyclopentanes). It is shown that 1,3- and 1,4-dimethylcyclohexanes (and trimethylcyclopentanes) result from the isomerization of m- and p-xylenes. Therefore, the hydrogenating activity of hydrocracking catalysts can be characterized by the formation of dimethylyclohexanes and trimethylcyclopentanes. Furthermore, the isomerization of xylenes, which occurs through an acid mechanism, can be used for characterizing the acid activity of hydrocracking catalysts. This is not the case for disproportion whose rate depends on hydrogen pressure. The validity of o-xylene transformation for characterizing the acid and hydrogenating activities of bifunctional hydrocracking catalysts was confirmed by the use of a series of catalysts having either the same content of NiMo and different contents of zeolite or the same content of zeolite and different contents of NiMo. While the isomerization activity is strictly proportional to the zeolite content and independent of the NiMo content, and the hydrogenating activity is proportional to the NiMo content and independent of the zeolite content. 27 refs., 17 figs., 3 tabs.

  1. West Virginia University 1 Department of Chemical Engineering

    E-Print Network [OSTI]

    Mohaghegh, Shahab

    gasification combined cycle (IGCC), Chemical looping, Fuel cells (SOFC & PEM), Optimization, Dynamic modeling

  2. 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.

  3. Mechanical, Industrial & Manufacturing

    E-Print Network [OSTI]

    Balasubramanian, Ravi

    Mechanical, Industrial & Manufacturing Engineering (MIME) COLLEGE OF ENGINEERING FY2013 Oregon graduate degrees (MS, MEng, PhD) in mechanical engineering, industrial engineering, and materials science. We offer bachelor's degrees in mechanical, industrial, manufacturing, and energy systems engineering

  4. Industrial and Systems engineering

    E-Print Network [OSTI]

    Berdichevsky, Victor

    Industrial and Systems engineering COLLEGE of ENGINEERING DepartmentofIndustrialandSystemsEngineering EDGE Engineering Entrepreneur Certificate Program is a great addition to an industrial and systems to expert clinical recommendations. engineering.wayne.edu/isefaculty Industrial and systems engineering

  5. Cell fleet planning : an industry case study

    E-Print Network [OSTI]

    Silva, Armando C.

    1984-01-01

    The objective of this thesis is to demonstrate the practical use of the Cell Fleet Planning Model in planning the fleet for the U.S. airline industry. The Cell Model is a cell theory, linear programming approach to fleet ...

  6. Influence of gas composition on wafer temperature in a tungsten chemical vapor deposition reactor: Experimental measurements, model

    E-Print Network [OSTI]

    Rubloff, Gary W.

    tool in the de- velopment of semiconductor manufacturing equipment. The value of process modeling studies have focused on modeling trans- port mechanisms in single wafer rapid thermal processing RTP the gas phase and wafer itself. In addition to the dominant radiative energy exchange modes inside

  7. Arc Plasma Torch Modeling

    E-Print Network [OSTI]

    Trelles, J P; Vardelle, A; Heberlein, J V R

    2013-01-01

    Arc plasma torches are the primary components of various industrial thermal plasma processes involving plasma spraying, metal cutting and welding, thermal plasma CVD, metal melting and remelting, waste treatment and gas production. They are relatively simple devices whose operation implies intricate thermal, chemical, electrical, and fluid dynamics phenomena. Modeling may be used as a means to better understand the physical processes involved in their operation. This paper presents an overview of the main aspects involved in the modeling of DC arc plasma torches: the mathematical models including thermodynamic and chemical non-equilibrium models, turbulent and radiative transport, thermodynamic and transport property calculation, boundary conditions and arc reattachment models. It focuses on the conventional plasma torches used for plasma spraying that include a hot-cathode and a nozzle anode.

  8. 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.

  9. Vortical and industrial interactions

    SciTech Connect (OSTI)

    Barr, P.K. [Sandia National Labs., Livermore, CA (United States). Combustion Research Facility

    1995-05-01

    A vortex-dynamics-based model has been developed and used to study the importance of flame extinction by fluid dynamic strain that occurs in a pulse combustor. Results show that flame extinction by fluid dynamic stretch, which occurs during injection of the fresh charge, ensures the correct phase relation between the energy release and the resonant pressure wave. This phasing is required by Rayleigh`s criterion for stable combustion-driven oscillations. However, this model also showed that the vortex dynamics technique is not at a stage where design engineers can use it as a predictive tool, just as they would use experimental testing. This is in part because pulse combustor designs being developed today use three-dimensional geometries and complex operating conditions, whereas the vortex model simulates processes occurring only in the combustion chamber, and ignores the rest of the pulse combustor unit. Also, the model assumes two-dimensional flow, a simple combustor geometry, and premixed combustion. A successful in-house manufacturing design code must be able to perform a complete design study reliably, quickly and easily, and on computers that are readily available to industry. Instead, the insight gained from the vortex dynamics model is being incorporated into a computational tool to assist in pulse combustor design. This tool will be used by industrial engineers to design pulse combustors for specific applications. The design tool combines submodels for acoustics, injection and combustion, producing a pulse combustor model that dynamically couples the processes in the combustion chamber to the acoustic waves.

  10. 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.

  11. Uranium industry annual 1997

    SciTech Connect (OSTI)

    NONE

    1998-04-01

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

  12. Industry Analysis February 2013

    E-Print Network [OSTI]

    Fletcher, Robin

    -Industries · Biodiesel ­ Biofuel ­ Alternate fuels ­ Green fuels ­ Renewable fuels/energy ­ Green energy ­ Green) · Business Source Complete - Company, market, industry news and articles · CBCA and Canadian Newsstand

  13. THE INDUSTRIAL EXCELLENCE AWARD AS A TRAINING GUIDANCE TOOL

    E-Print Network [OSTI]

    Aristomenis, Antoniadis

    THE INDUSTRIAL EXCELLENCE AWARD AS A TRAINING GUIDANCE TOOL NICHOLAS BILALIS, Professor Department. Introduction This paper presents an approach for meeting the current educational needs of industry on industrial excellence. The methodology is based on the Industrial Excellence model developed by INSEAD

  14. 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. [Selcuk University, Konya (Turkey). Dept. of Mining Engineering

    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.

  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. ITP Forest Products: Report for AIChE Pulp and Paper Industry...

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

    REPORT for American Institute of Chemical Engineers (AIChE) Pulp and Paper Industry Energy Bandwidth Study Prepared by Jacobs Greenville, South Carolina, USA and Institute of Paper...

  17. The application of an Eulerian chemical and transport model (CMAQ) at fine scale resolution to the UK 

    E-Print Network [OSTI]

    Pederzoli, Anna

    2008-01-01

    Present-day numerical air quality models are considered essential tools for predicting future air pollutant concentrations and depositions, contributing to the development of new effective strategies for the control and ...

  18. 316 Chemical Engineering Education ehavioral scientists classify thought processes into

    E-Print Network [OSTI]

    Newell, James A.

    316 Chemical Engineering Education B ehavioral scientists classify thought processes into cognitive of engineering graduates, industrial employers and Jim Newell is a Professor of Chemical Engineering at Rowan University. He currently serves as Secretary/Treasurer of the Chemical Engineering Division of ASEE and has

  19. Energy Efficiency Improvement and Cost Saving Opportunities for the Petrochemical Industry - An ENERGY STAR(R) Guide for Energy and Plant Managers

    E-Print Network [OSTI]

    Neelis, Maarten

    2008-01-01

    and Trends in the Pulp and Paper Industry. American Counciland others in the pulp and paper industry (Xenergy, 1998)in the pulp and paper, chemical and refinery industries. The

  20. 1 2014 Society of Chemical Industry and John Wiley & Sons, Ltd | Greenhouse Gas Sci Technol. 4:127 (2014); DOI: 10.1002/ghg Received August 14, 2013; revised January 9, 2014; accepted January 10, 2014

    E-Print Network [OSTI]

    Mohaghegh, Shahab

    2014-01-01

    Virginia University, Morganstown, WV, USA Abstract: Capturing carbon dioxide (CO2) from large point sources on Climate Change (IPCC) defines carbon capture and storage (CCS) as `a process consisting of the separation Modeling pressure and saturation distribution in a CO2 storage project using a Surrogate Reservoir Model

  1. A Low Cost Energy Management Program at Engelhard Industries Division 

    E-Print Network [OSTI]

    Brown, T. S.; Michalek, R.; Reiter, S.

    1982-01-01

    in technology related to precious metals and nonmetallic minerals. It manufactures high-performance chemical and precious metals products, including catalysts for the petroleum and automotive industries. Engelhard's energy costs have risen dramatically over...

  2. Preliminary Results from the Industrial Steam System Market Assessment 

    E-Print Network [OSTI]

    McGrath, G. P.; Wright, A. L.

    2002-01-01

    This paper discusses fuel use and potential energy savings in the steam systems of three steam intensive industries: pulp and paper, chemical manufacturing, and petroleum refining. To determine the energy consumption to generate steam...

  3. The Analysis and Development of Large Industrial Steam Systems 

    E-Print Network [OSTI]

    Waterland, A. F.

    1980-01-01

    Chemicals, petroleum, pulp and paper, and many other industries depend heavily on extensive complex steam systems for thermal and mechanical energy delivery. Steam's versatility and desirable characteristics as both a heat transfer medium and a...

  4. Energy Management in a Multi-Industry Organization 

    E-Print Network [OSTI]

    Lawrence, J.

    1981-01-01

    Tenneco operates in seven of the nation's ten most energy intensive industries: Petroleum Refining, Chemicals Manufacturing, Pulp and Paper, Transportation Equipment, Primary Metals, Food Processing, and Machinery. This diversification...

  5. 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.

  6. The heat and mass transfer phenomena in micro-scale for drug diffusion to brain tissue, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas

    E-Print Network [OSTI]

    modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion agreement. Finally, a chemical kinetic mechanism of gas turbine combustion for Jet Propellant-10 has been

  7. Development of Advanced Thermal-Hydrological-Mechanical-Chemical...

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

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

  8. Spontaneous polarization in an interfacial growth model for actin filament networks with a rigorous mechano-chemical coupling

    E-Print Network [OSTI]

    Karin John; Denis Caillerie; Chaouqi Misbah

    2014-10-02

    Many processes in eukaryotic cells, including cell motility, rely on the growth of branched actin networks from surfaces. Despite its central role the mechano-chemical coupling mechanisms which guide the growth process are poorly understood, and a general continuum description combining growth and mechanics is lacking. We develop a theory that bridges the gap between mesoscale and continuum limit and propose a general framework providing the evolution law of actin networks growing under stress. This formulation opens an area for the systematic study of actin dynamics in arbitrary geometries. Our framework predicts a morphological instability of actin growth on a rigid sphere, leading to a spontaneous polarization of the network with a mode selection corresponding to a comet, as reported experimentally. We show that the mechanics of the contact between the network and the surface plays a crucial role, in that it determines directly the existence of the instability. We extract scaling laws relating growth dynamics and network properties offering basic perspectives for new experiments on growing actin networks.

  9. Mechanical & Industrial Engineering

    E-Print Network [OSTI]

    Mountziaris, T. J.

    Mechanical & Industrial Engineering 1 Welcome MIE Industrial Advisory Board May 5th, 2011 #12;Mechanical & Industrial Engineering 2 IAB 2010-2011 · David K. Anderson ­ Alden Research Laboratory, Inc went on for three weeks Mechanical & Industrial Engineering 6 #12;Reza Shahbazian Yassar Mechanical

  10. INDUSTRIAL ENGINEERING GRADUATE PROGRAMS

    E-Print Network [OSTI]

    Gelfond, Michael

    INDUSTRIAL ENGINEERING GRADUATE PROGRAMS The Master of Science in Industrial Engineering (M Systems and Engineering (M.S.M.S.E.), the Doctor of Philosophy in Industrial Engineering, and the Doctor of Philosophy in Systems and Engineering Management programs prepare competent industrial engineers

  11. Industry Analysis October 2010

    E-Print Network [OSTI]

    Abolmaesumi, Purang

    Industry and Company research ­ they build on each other #12;Industry Studies Standard & Poor's Net of competitors Standard & Poor's NetAdvantage - See 'Industry Surveys' under the "Quick Links" #12;Where Common technologies are there industry standards, platforms manufacturing processes, outsourcing? #12

  12. Benchmarks for industrial energy efficiency

    SciTech Connect (OSTI)

    Amarnath, K.R. [Electric Power Research Inst., Palo Alto, CA (United States); Kumana, J.D. [Linnhoff March, Inc., Houston, TX (United States); Shah, J.V. [Electric Power Research Inst., Pittsburgh, PA (United States). Chemicals and Petroleum Center

    1996-12-31

    What are the standards for improving energy efficiency for industries such as petroleum refining, chemicals, and glass manufacture? How can different industries in emerging markets and developing accelerate the pace of improvements? This paper discusses several case studies and experiences relating to this subject emphasizing the use of energy efficiency benchmarks. Two important benchmarks are discussed. The first is based on a track record of outstanding performers in the related industry segment; the second benchmark is based on site specific factors. Using energy use reduction targets or benchmarks, projects have been implemented in Mexico, Poland, India, Venezuela, Brazil, China, Thailand, Malaysia, Republic of South Africa and Russia. Improvements identified through these projects include a variety of recommendations. The use of oxy-fuel and electric furnaces in the glass industry in Poland; reconfiguration of process heat recovery systems for refineries in China, Malaysia, and Russia; recycling and reuse of process wastewater in Republic of South Africa; cogeneration plant in Venezuela. The paper will discuss three case studies of efforts undertaken in emerging market countries to improve energy efficiency.

  13. Integrating Fermentation and Transesterification Industrial Scale Processes

    E-Print Network [OSTI]

    Pike, Ralph W.

    for polymers and chemical intermediates 1 Approximately 1% of global energy market and 3% of global oil an integration of these aspects by world organizations, countries and industries. #12;Corporate SustainabilityCorporate Sustainability · A company's success depends on maximizing the profit as expressed below. Profit = Product Sales

  14. BEP Proposal: Towards Cleaner Industrial Combustion -

    E-Print Network [OSTI]

    Vuik, Kees

    BEP Proposal: Towards Cleaner Industrial Combustion - How to Reduce the Formation of Pollutants furnace fired by the combustion of natural gas. The chemical reaction of the gas and oxygen mixture releases heat and side products such as water and carbon monoxide. The combustion also produces undesired

  15. 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.

  16. 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

  17. THE JOURNAL OF CHEMICAL PHYSICS 137, 034901 (2012) Derivation of free energy expressions for tube models from

    E-Print Network [OSTI]

    Schieber, Jay D.

    2012-01-01

    to a harmonic bending term in the free energy of the continuous chain, similar to that derived by Read et al the degree of entanglement an outcome of the model instead of a variable. In summary, this paper constitutes then include a modulus and a relaxation time for each mode, and usually one or more parameters per mode to capt

  18. A team of researchers is modeling ozone formation induced by volatile organic NORTHWESTERN CHEMICAL AND BIOLOGICAL ENGINEERING

    E-Print Network [OSTI]

    Ottino, Julio M.

    mechanistic models based on kinetics and photochemistry, from which predictions of ozone production can of data (products and reactions) using graph theory representations of species and a computer. Based. A simple 4 x 4 matrix represents formaldehyde. The diagonal elements and off- diagonal elements represent

  19. 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.

  20. Analysis of the impacts of Internet-based business activities on the container shipping industry : the system dynamics modeling approach with the framework of technological evolution

    E-Print Network [OSTI]

    Auh, Jae Hyuck, 1969-

    2003-01-01

    The internet-based business (e-business) activities have become a new technological challenge to the container shipping industry (CSI) in recent years. Despite the growing importance of e-business in the CSI, little ...

  1. 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.

  2. Industrial Ecology Master of Science

    E-Print Network [OSTI]

    Langendoen, Koen

    Cycles · Resource Scarcity · Agent Based Modelling of Complex Adaptive Systems · Renewable energy systems. An interdisciplinary approach, integrating technical, environmental and social frames of reference, is essential and profit Industrial Ecology is inspired by nature. The analogy between natural and technical systems

  3. ESTIMATION AND CONTROL OF INDUSTRIAL PROCESSES WITH PARTICLE FILTERS

    E-Print Network [OSTI]

    de Freitas, Nando

    ESTIMATION AND CONTROL OF INDUSTRIAL PROCESSES WITH PARTICLE FILTERS Rub´en Morales of industrial processes. In particular, we adopt a jump Markov linear Gaussian (JMLG) model to describe an industrial heat exchanger. The parameters of this model are identi- fied with the expectation maximisation

  4. Risk Management for a Global Supply Chain Planning under Uncertainty: Models and Algorithms

    E-Print Network [OSTI]

    Grossmann, Ignacio E.

    Risk Management for a Global Supply Chain Planning under Uncertainty: Models and Algorithms Fengqi In this paper we consider the risk management for mid-term planning of a global multi-product chemical supply solve the resulting large scale industrial size problems. We also introduce risk management models

  5. Bond Graph Modeling of Centrifugal Compressor System Nur Uddin and Jan Tommy Gravdahl

    E-Print Network [OSTI]

    Gravdahl, Jan Tommy

    . A model of a compression system with recycle flow is derived in this work. 1. INTRODUCTION Compressors are widely applied in industries, for exam- ples in pipeline natural gas transportation system, extraction in oil fields, and process chemical and petrochemical plants [1]. A model of a compression system

  6. Chemical process optimization and pollution prevention via mass and property integration 

    E-Print Network [OSTI]

    Hortua, Ana Carolina

    2009-05-15

    The process industries such as petrochemicals, chemicals and pharmaceuticals, among others, consume large amounts of material and energy resources. These industries are also characterized by generating enormous amounts of waste that significantly...

  7. 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.

  8. 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.

  9. A Vocation for Industrial Transformation: Ideology, Organizational Isomorphism, and Upgrading in the Guatemalan Sugar Industry

    E-Print Network [OSTI]

    Fuentes, Alberto Jose

    Between the late 1970s and the 2000s, the Guatemalan sugar industry transitioned from a production model with deplorable labor conditions and low productivity to a highly efficient model with improved conditions. This paper ...

  10. 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.

  11. Chemical Science

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

    AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Homesum_a_epg0_fpd_mmcf_m.xls" ,"Available from WebQuantity of NaturalDukeWakefieldSulfateSciTechtail.Theory of raregovAboutRecoveryplanning CareerNationalCNMSTHEmaterials |Chemical

  12. The Industrial Electrification Program 

    E-Print Network [OSTI]

    Harry, I. L.

    1982-01-01

    EPRI's role as the research organization of the electric power industry, in coordination with potential user industries, is to 1) define the viability of candidate electrification technologies by monitoring the state-of-the-art and continuously...

  13. INDUSTRIAL ENGINEER APPRENTICE OPPORTUNITY

    E-Print Network [OSTI]

    Pohl, Karsten

    INDUSTRIAL ENGINEER APPRENTICE OPPORTUNITY SUMMER 2013 Industrial Engineering COOP Student needed-Fri, for summer 2013. Student must be enrolled in BS Engineering program. (Preferably completed 2-3 yrs

  14. 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.

  15. ChBE 4515 Chemical Process Safety (required course) Credit: 1-0-1

    E-Print Network [OSTI]

    Gallivan, Martha A.

    , ethics 2. Toxicology 3. Industrial hygiene 4. Source models 5. Toxin release and dispersion 6. Fires

  16. 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.

  17. Improved Indoor Tracking Based on Generalized t-Distribution Noise Model

    E-Print Network [OSTI]

    Shuo, Liu; Le, Yin; Khuen, Ho Weng; Voon, Ling Keck

    2015-01-01

    function. Industrial & engineering chemistry research, 42(model. Industrial & Engineering Chemistry Research, 52(11):

  18. Vanderbilt Department of Chemical and Biomolecular Engineering

    E-Print Network [OSTI]

    Vanderbilt Department of Chemical and Biomolecular Engineering #12;2 Plasmonics and Nanophotonics Graduate work in chemical and biomolecular engineering provides an opportunity for study and research at the cutting edge--to contribute to shaping a new model of what chemical engineers do. All faculty members

  19. Industry Analysis January 2012

    E-Print Network [OSTI]

    Abolmaesumi, Purang

    ;8 Conference Board E-Library ­ Canadian industries, economic trends & forecasts ­ national, provincial1 CHEE 906 Industry Analysis January 2012 Constance Adamson, Stauffer Library adamsonc for both Industry and Company research ­ they build on each other #12;3 Where are they? · Library website

  20. Industrial Optimization Compact Course

    E-Print Network [OSTI]

    Kirches, Christian

    Industrial Optimization Compact Course and Challenge Workshop Optimization plays a crucial role in designing and conducting industrial processes. The potential gains range from saving valuable resources over makers from industry and academia to initiate new projects and to foster new structured collaborations