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Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
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they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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1

Carbon Emissions: Chemicals Industry  

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

Chemicals Industry Chemicals Industry Carbon Emissions in the Chemicals Industry The Industry at a Glance, 1994 (SIC Code: 28) Total Energy-Related Emissions: 78.3 million metric tons of carbon (MMTC) -- Pct. of All Manufacturers: 21.1% -- Nonfuel Emissions: 12.0 MMTC Total First Use of Energy: 5,328 trillion Btu -- Pct. of All Manufacturers: 24.6% Energy Sources Used As Feedstocks: 2,297 trillion Btu -- LPG: 1,365 trillion Btu -- Natural Gas: 674 trillion Btu Carbon Intensity: 14.70 MMTC per quadrillion Btu Energy Information Administration, "1994 Manufacturing Energy Consumption Survey" and Emissions of Greenhouse Gases in the United States 1998 Energy-Related Carbon Emissions, 1994 Source of Carbon Carbon Emissions (million metric tons) All Energy Sources 78.3 Natural Gas 32.1

2

Methods in Industrial Biotechnology for Chemical Engineers  

E-Print Network (OSTI)

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.

W. B. Vasantha Kandasamy; Florentin Smarandache

2008-07-13T23:59:59.000Z

3

Sanyo Chemical Industries | Open Energy Information  

Open Energy Info (EERE)

Chemical Industries Chemical Industries Jump to: navigation, search Name Sanyo Chemical Industries Place Tokyo, Japan Zip 103-0023 Product String representation "Sanyo is a petr ... uction process." is too long. References Sanyo Chemical Industries[1] LinkedIn Connections CrunchBase Profile No CrunchBase profile. Create one now! This article is a stub. You can help OpenEI by expanding it. Sanyo Chemical Industries is a company located in Tokyo, Japan . References ↑ "Sanyo Chemical Industries" Retrieved from "http://en.openei.org/w/index.php?title=Sanyo_Chemical_Industries&oldid=350614" Categories: Clean Energy Organizations Companies Organizations Stubs What links here Related changes Special pages Printable version Permanent link Browse properties

4

Methods in industrial biotechnology for chemical engineers  

E-Print Network (OSTI)

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 te...

Kandasamy, W B Vasantha

2008-01-01T23:59:59.000Z

5

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

The industry consumes 8% of the electricity and 5% of theon electricity and gas use for the chemicals industry fromelectricity and natural gas users in the chemicals industry

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

6

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

of the U.S. Chemical Industry. Berkeley, CA: Lawrence2004. Profile of the Petroleum Refining Industry inCalifornia - California Industries of the Future Program.

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

7

Industrial Wastewater Minimization in the Chemicals and Petroleum Industries Industry Technology Commentary  

Science Conference Proceedings (OSTI)

Although water is employed in all major industries, the chemicals and petroleum industries stand out as relying on a vast amount of water for their production needs. In the petroleum industry, more than half of the water is used for cooling, followed by boiler feed (roughly one-third), and then process and other uses. In the chemicals industry, the majority of water is used for cooling, followed by process applications, and then boiler and other uses. Both of these market segments have made great strides...

2011-03-31T23:59:59.000Z

8

Supply chain network optimization : low volume industrial chemical product  

E-Print Network (OSTI)

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 ...

Dacha, Fred (Frederick Omondi)

2013-01-01T23:59:59.000Z

9

Carbon Emissions: Chemicals Industry - U.S. Energy ...  

U.S. Energy Information Administration (EIA)

... is sequestered in chemical industry products, such as plastics and fertilizers, rather than emitted through combustion. [Energy ...

10

The Chemical and Pharmaceutical Industry Susan Brench (1984)  

E-Print Network (OSTI)

The Chemical and Pharmaceutical Industry Susan Brench (1984) If you have any questions, or would like to ask for some careers advice about working in the Chemical Manufacturing industry from Susan:alumnae@murrayedwards.cam.ac.uk The products and services of the chemical and pharmaceutical industry deliver clean water, vital medicines

Goldschmidt, Christina

11

Modelling the chemical evolution  

E-Print Network (OSTI)

Advanced observational facilities allow to trace back the chemical evolution of the Universe, on the one hand, from local objects of different ages and, secondly, by direct observations of redshifted objects. The chemical enrichment serves as one of the cornerstones of cosmological evolution. In order to understand this chemical evolution in morphologically different astrophysical objects models are constructed based on analytical descriptions or numerical methods. For the comparison of their chemical issues, as there are element abundances, gradients, and ratios, with observations not only the present-day values are used but also their temporal evolution from the first era of metal enrichment. Here we will provide some insight into basics of chemical evolution models, highlight advancements, and discuss a few applications.

Hensler, Gerhard

2010-01-01T23:59:59.000Z

12

LLNL Chemical Kinetics Modeling Group  

DOE Green Energy (OSTI)

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.

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

2008-09-24T23:59:59.000Z

13

Corrosion Experiences in the Chemical Process Industry  

Science Conference Proceedings (OSTI)

Oct 18, 2010 ... Under extremely dynamic and technological conditions, every chemical company must remain able to counteract the challenges of the new ...

14

Microscopic Models for Chemical Thermodynamics  

E-Print Network (OSTI)

We introduce an infinite particle system dynamics, which includes stochastic chemical kinetics models, the classical Kac model and free space movement. We study energy redistribution between two energy types (kinetic and chemical) in different time scales, similar to energy redistribution in the living cell. One example is considered in great detail, where the model provides main formulas of chemical thermodynamics.

Malyshev, V A

2011-01-01T23:59:59.000Z

15

Microscopic Models for Chemical Thermodynamics  

E-Print Network (OSTI)

We introduce an infinite particle system dynamics, which includes stochastic chemical kinetics models, the classical Kac model and free space movement. We study energy redistribution between two energy types (kinetic and chemical) in different time scales, similar to energy redistribution in the living cell. One example is considered in great detail, where the model provides main formulas of chemical thermodynamics.

V. A. Malyshev

2011-12-08T23:59:59.000Z

16

Alumni & Industry Magazine Chemical Engineering & Applied Chemistry  

E-Print Network (OSTI)

updated on your professional news, post discussions and share job opportunities. Joining our group is easy faculty and their students work in the conversion of biomass to fuels and chemicals in partnership in its implementation. Biofuels--and more broadly chemicals derived from biomass--are surely going

Prodiæ, Aleksandar

17

STATEMENT OF CONSIDERATIONS REQUEST BY CHEMICAL INDUSTRY ENVIRONMENTAL...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

CHEMICAL INDUSTRY ENVIRONMENTAL TECHNOLOGY PROJECTS, LLC (CIETP) FOR AN ADVANCE WAIVER OF DOMESTIC AND FOREIGN PATENT RIGHTS UNDER DOE COOPERATIVE AGREEMENT NO. DE-FC02-97CH10895;...

18

Enabling Integrated Information Framework as Cloud Services for Chemical and Petroleum Industry  

Science Conference Proceedings (OSTI)

Business agility is of vital importance to chemical and petroleum industry, especially in rapid response to diagnose and exchange of real-time information and other relevant data sources. From IT perspective, emerging delivery models such as cloud computing ... Keywords: Cloud Computing, Elastic Intrastructure, Platform-as-a-Service, Software-as-a-Service, Chemical and Petroleum

Yu Chen Zhou; Xi Ning Wang; Xin Peng Liu; Liang Xue; Shuang Liang; Chang Hua Sun

2010-07-01T23:59:59.000Z

19

STATEMENT OF CONSIDERATIONS REQUEST BY CHEMICAL INDUSTRY ENVIRONMENTAL TECHNOLOGY  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

CHEMICAL INDUSTRY ENVIRONMENTAL TECHNOLOGY CHEMICAL INDUSTRY ENVIRONMENTAL TECHNOLOGY PROJECTS, LLC (CIETP) FOR AN ADVANCE WAIVER OF DOMESTIC AND FOREIGN PATENT RIGHTS UNDER DOE COOPERATIVE AGREEMENT NO. DE-FC02-97CH10895; W(A)-97-032; CH-0935 The Petitioner, CIETP, has requested a waiver of domestic and foreign patent rights for all subject inventions arising under the above referenced cooperative agreement and subcontracts entered thereunder. The cooperative agreement is entitled, "DOE/CIETP Vision 2020." Both the DOE and the Petitioner support programs which offer clean, energy efficient, and environmentally sound technologies. This cooperative agreement is a partnership based on these similar missions and strategies to facilitate collaborative effort within the chemical industry which will benefit the

20

Industry  

E-Print Network (OSTI)

the paper, glass or ceramics industry) making it difficulttechnology in the ceramic manufacturing industry. industries: iron and steel, non-ferrous metals, chemicals (including fertilisers), petroleum refining, minerals (cement, lime, glass and ceramics) and

Bernstein, Lenny

2008-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

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

Science Conference Proceedings (OSTI)

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

Jeffrey Hahn; Thomas Anderson

2005-04-01T23:59:59.000Z

22

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

E-Print Network (OSTI)

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. This program, sponsored by the Office of Industrial Programs of DOE, defines technology needs from an industry viewpoint, so that recommended projects will complement industry's efforts and result in technologies for which there are clearly identifiable markets. The search for RD&D projects is currently focusing in the following technology categories: (i) reduction of fouling in cooling water systems, (ii) alternatives to conventional distillation and separation, (iii) low level waste heat recovery, (iv) advanced concepts in furnaces and boilers, (v) coal utilization, and (vi) advanced concepts in conversion and processing. The future direction of the program will continue to be dictated largely by industry needs.

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

1981-01-01T23:59:59.000Z

23

Prospects for geothermal commercialization in the chemical industry  

DOE Green Energy (OSTI)

A number of areas considered directly relevant to a particular chemical firm's decision to use or not to use geothermal energy for its commercial needs are emphasized. These areas include: current fuel uses and problems, and future fuel concerns; firm decision-making processes, including managerial and financing conventions; perceived commercial potential for geothermal energy in the industry and mechanisms for stimulating interest; the potential institutional framework for user involvement in geothermal development; and the role that government might most effectively play in stimulating user development. The results are based on extensive personal interviews with decision-makers in the industry. (MHR)

Bressler, S.E.; Hanemann, W.M.

1980-03-01T23:59:59.000Z

24

Reactive formulations for a neutralization of toxic industrial chemicals  

DOE Patents (OSTI)

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.

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

2006-10-24T23:59:59.000Z

25

Tribo-Chemical Modeling of Copper CMP  

E-Print Network (OSTI)

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

Tripathi, Shantanu; Doyle, Fiona; Dornfeld, David

2006-01-01T23:59:59.000Z

26

Chemical production from industrial by-product gases: Final report  

DOE Green Energy (OSTI)

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)

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

1981-04-01T23:59:59.000Z

27

In Situ Sensors for the Chemical Industry- Final Report  

SciTech Connect

The project focused on analytical techniques that can be applied in situ. The innovative component of this project is the focus on achieving a significant breakthrough in two of the three primary Process Analytical (PA) fields. PA measurements can roughly be broken down into: ? Single component measurements, ? Multiple component measurements and ? Multiple component isomer analysis. This project targeted single component measurements and multiple component measurements with two basic technologies, and to move these measurements to the process, achieving many of the process control needs. During the project the following achievements were made: ? Development of a low cost Tunable Diode Laser (TDL) Analyzer system for measurement of 1) Oxygen in process and combustion applications, 2) part per million (ppm) H2O impurities in aggressive service, 3) ppm CO in large scale combustion systems. This product is now commercially available ? Development of a process pathlength enhanced (high sensitivity) Laser Based Analyzer for measurement of product impurities. This product is now commercially available. ? Development of signal processing methods to eliminate measurement errors in complex and changing backgrounds (critical to chemical industry measurements). This development is incorporated into 2 commercially available products. ? Development of signal processing methods to allow multi-component measurements in complex chemical streams. This development is incorporated into 2 commercially available products. ? Development of process interface designs to allow in-situ application of TDL technology in aggressive (corrosive, high temperature, high pressure) commonly found in chemical processes. This development is incorporated in the commercially available ASI TDL analyzer. ? Field proving of 3 laser-based analyzer systems in process control and combustion applications at Dow Chemical. Laser based analyzers have been available for >5yrs, however significant product price/performance issues have minimized their applicability in the chemical industry. In order to take advantage of the promise of this technology a number of technology advances were required, within price limits for market acceptance. This project significantly advanced the state of TDL technology for application in chemical industry applications. With these advances a commercially available product now exists that has already achieved market success and is installed in critical applications. The ability to make fast, sensitive and accurate measurements inside the chemical processes is now delivering improved process control, energy efficiency and emissions control within the U.S. Chemical Industry. Despite the success we enjoyed for the laser-based sensors, there were significant technical barriers for the solid-state sensors. With exception of a generic close-coupled extractive housing and electronics interface, there were significant issues with all of the solid-state sensor devices we sought to develop and test. Ultimately, these issues were roadblocks that prevented further development and testing. The fundamental limitations of available sensor materials that we identified, formulated and tested were overwhelming. This situation forced our team to cancel these portions of the project and focus our resources on laser-based sensor techniques. The barriers of material compatibility, sensitivity, speed of response, chemical interferences, etc. are surmountable in the field of solid-state sensors. Inability to address any single one of these attributes will prevent wide-implementation into this market. This situation is plainly evident by the lack of such devices in the online analyzer market (for petrochemicals).

Tate, J.D.; Knittel, Trevor

2006-06-30T23:59:59.000Z

28

Cogeneration handbook for the chemical process industries. [Contains glossary  

Science Conference Proceedings (OSTI)

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.

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

1984-03-01T23:59:59.000Z

29

Modeling Atlantic salmon fish farming industry: freshwater sub model simulation  

Science Conference Proceedings (OSTI)

Atlantic salmon fish farming has become a large industry worldwide. The industry's processes are examined, and the farming stages analyzed. Fish Farming Industry Simulation Model (FFISiM), a hierarchical, colored Petri net simulation model, was developed ... Keywords: Petri nets, cost and timing, fish farming, growth, performance analysis

Rune Melberg; Reggie Davidrajuh

2009-03-01T23:59:59.000Z

30

Plant Energy Profiler Tool for the Chemicals Industry (ChemPEP Tool), Software Tools for Industry, Industrial Technologies Program (ITP) (Fact Sheet)  

SciTech Connect

This fact sheet describes how the Industrial Technologies Program ChemPEP Tool can help chemical plants assess their plant-wide energy consumption.

2008-12-01T23:59:59.000Z

31

Industry  

E-Print Network (OSTI)

in the iron and steel industry: a global model. Energy, 30,report of the world steel industry 2005. International Irontrends in the iron and steel industry. Energy Policy, 30,

Bernstein, Lenny

2008-01-01T23:59:59.000Z

32

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

E-Print Network (OSTI)

the Costa Rican Hotel Industry." Social & Natural Resourcesand Michael Lenox. 2000. "Industry Self-Regulation withoutSanctions: The Chemical Industry's Responsible Care

Delmas, Magali A; Montiel, Ivan

2007-01-01T23:59:59.000Z

33

Online Modeling in the Process Industry for Energy Optimization  

E-Print Network (OSTI)

"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 and electricity. It further discusses the methods of providing this energy for refineries, petrochemical plants, and other processing plants - chemical, paper, and metal. A typical system flow diagram is used to highlight the energy system network and describe areas where steady-state models are used. The types of models used are discussed, and a scheme for putting the models together to provide total process plant energy optimization is summarized. The types of optimization which can be implemented in a process plant is thus presented. The paper points out what steady-state modeling is needed to do online optimization of an energy network in a processing plant. Finally, a discussion of the economics on online energy optimization is presented."

Alexander, J.

1988-09-01T23:59:59.000Z

34

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

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

and Business Models US Energy Service Company Industry: History and Business Models Information about the history of US Energy Service Company including industry history,...

35

World Energy Projection System Plus Model Documentation: Industrial Model  

Reports and Publications (EIA)

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.

Peter Gross

2011-10-12T23:59:59.000Z

36

Integrated Chemical, Thermal, Mechanical and Hydrological Modeling...  

Open Energy Info (EERE)

489,476 1,602,500 Retrieved from "http:en.openei.orgwindex.php?titleIntegratedChemical,Thermal,MechanicalandHydrologicalModeling&oldid313283" Category:...

37

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

Profile of the Petroleum Refining Industry in California -California Industries of the Future Program. Berkeley, CA:reflect those of the California Energy Commission, the U.S.

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

38

Energy Flow Models for the Steel Industry  

E-Print Network (OSTI)

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 each step is calibrated against Commerce Dept. data. Third, a detailed energy flow model is presented for coke ovens and blast furnaces, two very energy-intensive steps in our seven step model of steelmaking. This process-step model is calibrated against both our energy end use and material flow models. These models can serve as the base case for simulating changes in energy utilization and waste streams for steelmaking spurred by economic or regulatory conditions or technology innovations.

Hyman, B.; Andersen, J. P.

1998-04-01T23:59:59.000Z

39

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

Reports and Publications (EIA)

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 AEO2005. 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 sectorbulk chemicals and pulp and paper.

Information Center

2005-02-01T23:59:59.000Z

40

Chemically Consistent Evolutionary Synthesis Modelling of Galaxies  

E-Print Network (OSTI)

We present our chemically consistent GALEV Evolutionary Synthesis models for galaxies and point out differences to previous generations of models and their effects on the interpretation of local and high-redshift galaxy data.

Uta Fritze-von Alvensleben; Thorsten Tepper García

2006-10-18T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Oak Ridge Industrial Model: an introduction  

SciTech Connect

The Oak Ridge Industrial Model (ORIM) was initially developed for the Energy Information Administration to forecast demand for five types of fuel and electricity by the manufacturing sector in the ten federal regions. Recently, the model has been used by the office of Coal Utilization to forecast market penetration of new technologies which use coal. ORIM divides the national market into about 100,000 submarkets based on region, industry, vintage of capital stock, and characteristic type of energy service. For each of the submarkets, ORIM estimates the probability that a fuel will capture the submarket. Regional forecasts are obtained by summing over the submarkets. The ORIM energy demand forecasts are influenced by energy prices, the fuel use act, tax regulations, and environmental regulations.

Reister, D.B.; Barnes, R.W.; Edmonds, J.A.

1980-01-01T23:59:59.000Z

42

Meeting to Examine Industry Impact of Chemical Controls  

Science Conference Proceedings (OSTI)

... has serious cost and market implications both for manufacturers of chemicals ... The European Union's "End-of-Life-Vehicles" (ELV) Directive affected ...

2013-08-22T23:59:59.000Z

43

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

SciTech Connect

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 Califor

Galitsky, Christina; Worrell, Ernst

2004-06-01T23:59:59.000Z

44

Energy Use and Energy Intensity of the U.S. Chemical Industry | ENERGY STAR  

NLE Websites -- All DOE Office Websites (Extended Search)

Intensity of the U.S. Chemical Industry Intensity of the U.S. Chemical Industry Secondary menu About us Press room Contact Us Portfolio Manager Login Facility owners and managers Existing buildings Commercial new construction Industrial energy management Small business Service providers Service and product providers Verify applications for ENERGY STAR certification Design commercial buildings Energy efficiency program administrators Commercial and industrial program sponsors Associations State and local governments Federal agencies Tools and resources Training In This Section Campaigns Commercial building design Communications resources Energy management guidance Financial resources Portfolio Manager Products and purchasing Recognition Research and reports Service and product provider (SPP) resources Success stories

45

Chemical kinetics models for semiconductor processing  

SciTech Connect

Chemical reactions in the gas-phase and on surfaces are important in the deposition and etching of materials for microelectronic applications. A general software framework for describing homogeneous and heterogeneous reaction kinetics utilizing the Chemkin suite of codes is presented. Experimental, theoretical and modeling approaches to developing chemical reaction mechanisms are discussed. A number of TCAD application modules for simulating the chemically reacting flow in deposition and etching reactors have been developed and are also described.

Coltrin, M.E.; Creighton, J.R. [Sandia National Labs., Albuquerque, NM (United States); Meeks, E.; Grcar, J.F.; Houf, W.G. [Sandia National Labs., Livermore, CA (United States); Kee, R.J. [Colorado School of Mines, Golden, CO (United States)

1997-12-31T23:59:59.000Z

46

Energy Use and Energy Intensity of the U.S. Chemical Industry...  

NLE Websites -- All DOE Office Websites (Extended Search)

ENERGY STAR Partner Resources You are here Home Buildings & Plants Energy Use and Energy Intensity of the U.S. Chemical Industry Secondary menu About us Press room Contact...

47

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

E-Print Network (OSTI)

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 ...

Khawaji, Ibrahim A. (Ibrahim Abdullah)

2012-01-01T23:59:59.000Z

48

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

E-Print Network (OSTI)

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

Recanati, Catherine

49

Industrial Demand Module (IDM) - 2002 EIA Models Directory  

U.S. Energy Information Administration (EIA)

The Industrial Demand Module incorporates three components: buildings; process and assembly; and boiler, steam, and cogeneration. Last Model Update:

50

Policy modeling for industrial energy use  

SciTech Connect

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.

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

2003-03-01T23:59:59.000Z

51

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

control and energy management systems are in varyingprocess industries. New energy management systems that usestrategy. Although, energy management systems are already

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

52

Chemical Kinetic Modeling of Advanced Transportation Fuels  

DOE Green Energy (OSTI)

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.

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

2009-01-20T23:59:59.000Z

53

HVAC component data modeling using industry foundation classes  

E-Print Network (OSTI)

HVAC Component Data Modeling Using Industry Foundationof a major extension of the HVAC part of the IFC data model.generic approach for handling HVAC components. This includes

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

2002-01-01T23:59:59.000Z

54

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

2000. Energy Use and Energy Intensity of the U.S. ChemicalTechnologies, US Department of Energy, Washington, DC. USTechnologies, US Department of Energy, Washington, DC. US

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

55

Profile of the chemicals industry in California: California industries of the future program  

E-Print Network (OSTI)

drugs Figure 19. Electricity Distribution in the Chemicalsa theoretical electricity distribution for the chemicalsFigure 19 shows the distribution of electricity used in the

Galitsky, Christina; Worrell, Ernst

2004-01-01T23:59:59.000Z

56

Chemical kinetic modelling of hydrocarbon ignition  

DOE Green Energy (OSTI)

Chemical kinetic modeling of hydrocarbon ignition is discussed with reference to a range of experimental configurations, including shock tubes, detonations, pulse combustors, static reactors, stirred reactors and internal combustion engines. Important conditions of temperature, pressure or other factors are examined to determine the main chemical reaction sequences responsible for chain branching and ignition, and kinetic factors which can alter the rate of ignition are identified. Hydrocarbon ignition usually involves complex interactions between physical and chemical factors, and it therefore is a suitable and often productive subject for computer simulations. In most of the studies to be discussed below, the focus of the attention is placed on the chemical features of the system. The other physical parts of each application are generally included in the form of initial or boundary conditions to the chemical kinetic parts of the problem, as appropriate for each type of application being addressed.

Westbrook, C.K.; Pitz, W.J.; Curran, H.J.; Gaffuri, P.; Marinov, N.M.

1995-08-25T23:59:59.000Z

57

Industrial Demand Module 1999, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

1999-01-01T23:59:59.000Z

58

Industrial Demand Module 2005, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. C. Honeycutt

2005-05-01T23:59:59.000Z

59

Industrial Demand Module 2006, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. C. Honeycutt

2006-07-01T23:59:59.000Z

60

Industrial Demand Module 2009, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. C. Honeycutt

2009-05-20T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

Industrial Demand Module 2003, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

2003-12-01T23:59:59.000Z

62

Industrial Demand Module 2007, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. C. Honeycutt

2007-03-21T23:59:59.000Z

63

Industrial Demand Module 2002, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

2001-12-01T23:59:59.000Z

64

Industrial Demand Module 2001, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

2000-12-01T23:59:59.000Z

65

Industrial Demand Module 2008, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. C. Honeycutt

2008-06-01T23:59:59.000Z

66

Industrial Demand Module 2000, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

2000-01-01T23:59:59.000Z

67

Industrial Demand Module 2004, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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.

T. Crawford Honeycutt

2004-02-01T23:59:59.000Z

68

Deployment of an AEC industry sector product model  

Science Conference Proceedings (OSTI)

CIMsteel Integration Standard, Version 2 (CIS/2) is an industry-developed product model based on ISO-STEP technology that has been widely adopted within the steel construction industry. CIS/2 is an early success story of broad use of a product model ... Keywords: Building model, Product model, STEP

C. Eastman; F. Wang; S. -J. You; D. Yang

2005-10-01T23:59:59.000Z

69

Federal agencies active in chemical industry-related research and development  

SciTech Connect

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

1995-09-29T23:59:59.000Z

70

Chemical Kinetic Modeling of Hydrogen Combustion Limits  

Science Conference Proceedings (OSTI)

A detailed chemical kinetic model is used to explore the flammability and detonability of hydrogen mixtures. In the case of flammability, a detailed chemical kinetic mechanism for hydrogen is coupled to the CHEMKIN Premix code to compute premixed, laminar flame speeds. The detailed chemical kinetic model reproduces flame speeds in the literature over a range of equivalence ratios, pressures and reactant temperatures. A series of calculation were performed to assess the key parameters determining the flammability of hydrogen mixtures. Increased reactant temperature was found to greatly increase the flame speed and the flammability of the mixture. The effect of added diluents was assessed. Addition of water and carbon dioxide were found to reduce the flame speed and thus the flammability of a hydrogen mixture approximately equally well and much more than the addition of nitrogen. The detailed chemical kinetic model was used to explore the detonability of hydrogen mixtures. A Zeldovich-von Neumann-Doring (ZND) detonation model coupled with detailed chemical kinetics was used to model the detonation. The effectiveness on different diluents was assessed in reducing the detonability of a hydrogen mixture. Carbon dioxide was found to be most effective in reducing the detonability followed by water and nitrogen. The chemical action of chemical inhibitors on reducing the flammability of hydrogen mixtures is discussed. Bromine and organophosphorus inhibitors act through catalytic cycles that recombine H and OH radicals in the flame. The reduction in H and OH radicals reduces chain branching in the flame through the H + O{sub 2} = OH + O chain branching reaction. The reduction in chain branching and radical production reduces the flame speed and thus the flammability of the hydrogen mixture.

Pitz, W J; Westbrook, C K

2008-04-02T23:59:59.000Z

71

Economics of Energy Conservation in the Chemical and Petrochemical Industries  

E-Print Network (OSTI)

Capital allocated to energy savings projects competes with that for new or revised plants. Thus, it must show the same or better rate 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 and appears to be most promising, especislly where it is possible to upgrade the value of waste heat or combustible by-products in the process plant to produce steam and electrical energy which can be utilized or sold to others. A formal energy audit of process plants is suggested utilizing for engineering, operating as well as management personnel.

Nachod, J. E. Jr.

1987-09-01T23:59:59.000Z

72

Deployment of Forming and Welding Models to Industries through ...  

Science Conference Proceedings (OSTI)

Presentation Title, Deployment of Forming and Welding Models to Industries through High Performance Computing. Author(s), Yuping Yang, Hyunok Kim, ...

73

Characterizing emerging industrial technologies in energy models  

E-Print Network (OSTI)

Efficient and Clean Energy Technologies, 2000. Scenarios ofEmerging Energy-Efficient Industrial Technologies,” Lawrenceinformation about energy efficiency technologies, their

Laitner, John A. Skip; Worrell, Ernst; Galitsky, Christina; Hanson, Donald A.

2003-01-01T23:59:59.000Z

74

Industry  

Science Conference Proceedings (OSTI)

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.

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

2007-12-01T23:59:59.000Z

75

Industry  

E-Print Network (OSTI)

from refrigeration equipment used in industrial processesfrom refrigeration equipment used in industrial processesfrom refrigeration equipment used in industrial processes

Bernstein, Lenny

2008-01-01T23:59:59.000Z

76

Agent-based intelligent system development for decision support in chemical process industry  

Science Conference Proceedings (OSTI)

This paper presents an agent-based intelligent system to support coordinate manufacturing execution and decision-making in chemical process industry. A multi-agent system (MAS) framework is developed to provide a flexible infrastructure for the integration ... Keywords: Artificial intelligence, Coordinate manufacturing, Decision support, Information integration, Multi-agent system

Ying Gao; Zhigang Shang; Antonis Kokossis

2009-10-01T23:59:59.000Z

77

Information technology support for knowledge management in the chemical process industry  

Science Conference Proceedings (OSTI)

Effective knowledge management in the Chemical Process Industry (CPI) is intimately linked with the level of development in collection, transfer, analysis, flow and absorption of data/information/knowledge and the implementation of decisions. ... Keywords: ERP, control, cpi, information technology, knowledge management, optimisation, plant information, simulation, supply chain

Amalendu Datta

2003-07-01T23:59:59.000Z

78

Ways Electricity Can Be Used To Replace Fossil Fuels in The French Chemical Industry  

E-Print Network (OSTI)

France energy policy for the year 1990 foresees the following breakdown between various energy sources : renewable sources (including hydraulic) : 11%, coal + natural gas : 30.5%, nuclear : 26.5%, oil : 32%. The electricity will be produced mainly by nuclear: 66 % and by hydraulic : 14%, coal : 15%, fuel oil : 5%. Electricity and coal will then be the two major energy sources at the disposal of the French Industry. The new tariff structure of electricity proposed by Electricite de France will be given briefly explaining why and how electricity used to replace fossil fuels are seriously considered by the French Chemical Industry and by Rhone-Poulenc. Examples of various new utilisations of electrical equipment in chemical processes (thermal, heat pumps, filtration, electrolysis . . .) will be given. Emphasis will be put on research and development for new equipment and on the importance of good information and relationship between utilities suppliers, manufacturers and industrial consumers.

Mongon, A.

1982-01-01T23:59:59.000Z

79

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

SciTech Connect

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).

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

2000-04-01T23:59:59.000Z

80

EIA - The National Energy Modeling System: An Overview 2003-Industrial  

Gasoline and Diesel Fuel Update (EIA)

Industrial Demand Module Industrial Demand Module The National Energy Modeling System: An Overview 2003 Industrial Demand Module Figure 7. Industrial Demand Module Structure. Need help, contact the National Energy Information Center at 202-586-8800. Economic Subsectors Within the IDM Table. Need help, contact the National Energy Information Center at 202-586-8800. Industrial Demand Module Table. Need help, contact the National Energy Information Center at 202-586-8800. Fuel Consuming Activities for the Energy-Intensive Manufacturing Subsectors Table. Need help, contact the National Energy Information Center at 202-586-8800. The industrial demand module (IDM) forecasts energy consumption for fuels and feedstocks for nine manufacturing industries and six nonmanufactur- ing

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

A Chemical Kinetic Model of Transcriptional Elongation  

E-Print Network (OSTI)

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.

Yujiro Richard Yamada; Charles S. Peskin

2006-03-12T23:59:59.000Z

82

Policy modeling for industrial energy use  

E-Print Network (OSTI)

simple energy intensity is not a good indicator for energyEnergy Intensity in the Iron & Steel industry: A Comparison of Physical and Economic Indicators",energy efficiency in the Korean manufacturing sector, studies using economic energy efficiency indicators (energy intensity

2003-01-01T23:59:59.000Z

83

Solids transportation model of an industrial rotary dryer  

SciTech Connect

A complete simulation model has been developed for an industrial rotary dryer to account for the heat and mass exchange between the solids and the gas. This simulator is mainly composed of three models: solids transportation model, furnace model, and gas model. The solids transportation model is the modified Cholette-Cloutier model. It consists of a series of interactive reservoirs which are subdivided into an active and dead compartments to account for the characteristic extended tail of the residence time distribution (RTD) curves observed in industrial dryers. To expand the validity of the model, experiments have been performed in an industrial rotary dryer to obtain RTD curves under different mineral concentrate and gas flow rates. This paper describes these experiments and presents the variation of the average residence time and model parameters as function of solids and gas flow rates.

Renaud, M.; Thibault, J.; Trusiak, A.

2000-05-01T23:59:59.000Z

84

The National Energy Modeling System: An Overview 2000 - Industrial Demand  

Gasoline and Diesel Fuel Update (EIA)

industrial demand module (IDM) forecasts energy consumption for fuels and feedstocks for nine manufacturing industries and six nonmanufactur- ing industries, subject to delivered prices of energy and macroeconomic variables representing the value of output for each industry. The module includes industrial cogeneration of electricity that is either used in the industrial sector or sold to the electricity grid. The IDM structure is shown in Figure 7. industrial demand module (IDM) forecasts energy consumption for fuels and feedstocks for nine manufacturing industries and six nonmanufactur- ing industries, subject to delivered prices of energy and macroeconomic variables representing the value of output for each industry. The module includes industrial cogeneration of electricity that is either used in the industrial sector or sold to the electricity grid. The IDM structure is shown in Figure 7. Figure 7. Industrial Demand Module Structure Industrial energy demand is projected as a combination of “bottom up” characterizations of the energy-using technology and “top down” econometric estimates of behavior. The influence of energy prices on industrial energy consumption is modeled in terms of the efficiency of use of existing capital, the efficiency of new capital acquisitions, and the mix of fuels utilized, given existing capital stocks. Energy conservation from technological change is represented over time by trend-based “technology possibility curves.” These curves represent the aggregate efficiency of all new technologies that are likely to penetrate the future markets as well as the aggregate improvement in efficiency of 1994 technology.

85

Improvements to the EPA Industrial Source Complex Dispersion Model  

Science Conference Proceedings (OSTI)

Air quality models are a key component in determining air pollution control requirements. The Industrial Source Complex (ISC2) model is a steady-state Gaussian plume model that is used for modeling point, area, volume, and line sources. Since its ...

Dennis G. Atkinson; Desmond T. Bailey; John S. Irwin; Jawad S. Touma

1997-08-01T23:59:59.000Z

86

US Energy Service Company Industry: History and Business Models  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Energy Service Company Industry: Energy Service Company Industry: History and Business Models Don Gilligan President, NAESCO May 6, 2011 Overview of Presentation * US ESCO industry evolution: Five phases * Business models in each phase * Financing models in each phase * Factors that forced change to next phase * Lessons learned US ESCO Industry: Five Phases * Pre-1985: The Beginning of Large-scale Energy Efficiency (EE) * 1985-1995: Early ESCo experience * 1995-2000: Consolidation and Growth * 2000-2004: Setbacks * 2004 - present: Growth and new services Beginning of EE: pre-1985 * Federal government mandates utilities to provide energy conservation * Business model: ESCOs provide services - Energy audits, arranging contracting, etc. * Finance model: fee for service - Utilities pay ESCOs for services

87

Industry  

E-Print Network (OSTI)

oxide emission reductions in industry in the EU. Europeanissues: Annual survey of industries. Central StatisticalDesiccated coconut industry of Sri- Lanka’s opportunities

Bernstein, Lenny

2008-01-01T23:59:59.000Z

88

Gas transport model for chemical vapor infiltration  

Science Conference Proceedings (OSTI)

A node-bond percolation model is presented for the gas permeability and pore surface area of the coarse porosity in woven fiber structures during densification by chemical vapor infiltration (CVI). Model parameters include the number of nodes per unit volume and their spatial distribution, and the node and bond radii and their variability. These parameters relate directly to structural features of the weave. Some uncertainty exists in the proper partition of the porosity between ``node`` and ``bond`` and between intra-tow and inter-tow, although the total is constrained by the known fiber loading in the structure. Applied to cloth layup preforms the model gives good agreement with the limited number of available measurements.

Starr, T.L. [School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0245 (United States)

1995-09-01T23:59:59.000Z

89

Documentation of the Industrial Minor Fuels and Raw Materials model (MFUEL)  

Science Conference Proceedings (OSTI)

Most of the industrial demand for energy is projected by components of the Intermediate Future Forecasting System (IFFS), mainly the PURchased Heat and Power System (PURHAPS) and the oil refineries model (REFPRIDE). Other components of IFFS project a few fuel uses that are sometimes considered industrial. MFUEL projects those portions of industrial demand not covered by other components of IFFS: industrial use of motor gasoline, industrial consumption of lubricants and waxes, petrochemical feedstocks, metallurgical coal, special naphthas, natural gas used as a chemical feedstock, asphalt and road oil, petroleum coke, industrial kerosene, industrial hydropower, net imports of coal coke, other petroleum, and LPG used as a feedstock or by gas utilities. Each fuel is projected by a single equation at the national level, based on historical relationships, and then shared out to Federal Regions. MFUEL accounts for 5.01 quadrillion Btu out of the industrial energy total of 19.66 quadrillion in 1983, including 3.52 quadrillion Btu out of the 7.83 quadrillion of industrial petroleum use.

Werbos, P.J.

1984-07-01T23:59:59.000Z

90

Energy-saving cements obtained from chemical gypsum and other industrial wastes  

SciTech Connect

The main sources, properties and uses of chemical gypsum are reviewed and the possibility of its utilization for the manufacturing process of calcium sulfoaluminate cements is explored. In this process other industrial wastes, as sources of reactive silica and alumina, can be employed. Phosphogypsum, blast-furnace slag and fly ash were the main by-products investigated. The principal properties of calcium sulfoaluminate cements, such as synthesis, hydration and strength, were discussed. Some durability problems and suggested solutions were particularly emphasized.

Beretka, J. [CSIRO Div. of Building, Construction and Engineering, Highett, Victoria (Australia)] [CSIRO Div. of Building, Construction and Engineering, Highett, Victoria (Australia); Cioffi, R. [Univ. Degli Studi di Napoli Federico II (Italy). Dipt. di Ingegneria dei Materiali e della Produzione] [Univ. Degli Studi di Napoli Federico II (Italy). Dipt. di Ingegneria dei Materiali e della Produzione; Marroccoli, M.; Valenti, G.L. [Univ. della Basilicata, Potenza (Italy). Dipt. di Ingegneria e Fisica dell`Ambiente] [Univ. della Basilicata, Potenza (Italy). Dipt. di Ingegneria e Fisica dell`Ambiente

1996-12-31T23:59:59.000Z

91

Insolvency modeling in the cellular telecommunication industry  

Science Conference Proceedings (OSTI)

In this article, we test several models (decision tress and neural networks) to predict customer insolvency at one of the cellular telecommunication operator in Poland. In comparison to previous studies on customer insolvency, our research presents novelty ... Keywords: Cellular, Customer classification, Insolvency modeling, Predictive data mining, Revenue assurance

Tomasz S. Zbkowski; Wies?aw Szczesny

2012-06-01T23:59:59.000Z

92

Industrial Demand Module 1998, National Energy Modeling System (NEMS)  

Reports and Publications (EIA)

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 ofthe 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 supportof its models (Public Law 94-385, section 57.b2). 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.

T. Crawford Honeycutt

1998-01-01T23:59:59.000Z

93

Physical and Chemical Environmental Abstraction Model  

Science Conference Proceedings (OSTI)

As directed by a written development plan (CRWMS M&O 1999a), Task 1, an overall conceptualization of the physical and chemical environment (P/CE) in the emplacement drift is documented in this Analysis/Model Report (AMR). Included are the physical components of the engineered barrier system (EBS). The intended use of this descriptive conceptualization is to assist the Performance Assessment Department (PAD) in modeling the physical and chemical environment within a repository drift. It is also intended to assist PAD in providing a more integrated and complete in-drift geochemical model abstraction and to answer the key technical issues raised in the U.S. Nuclear Regulatory Commission (NRC) Issue Resolution Status Report (IRSR) for the Evolution of the Near-Field Environment (NFE) Revision 2 (NRC 1999). EBS-related features, events, and processes (FEPs) have been assembled and discussed in ''EBS FEPs/Degradation Modes Abstraction'' (CRWMS M&O 2000a). Reference AMRs listed in Section 6 address FEPs that have not been screened out. This conceptualization does not directly address those FEPs. Additional tasks described in the written development plan are recommended for future work in Section 7.3. To achieve the stated purpose, the scope of this document includes: (1) the role of in-drift physical and chemical environments in the Total System Performance Assessment (TSPA) (Section 6.1); (2) the configuration of engineered components (features) and critical locations in drifts (Sections 6.2.1 and 6.3, portions taken from EBS Radionuclide Transport Abstraction (CRWMS M&O 2000b)); (3) overview and critical locations of processes that can affect P/CE (Section 6.3); (4) couplings and relationships among features and processes in the drifts (Section 6.4); and (5) identities and uses of parameters transmitted to TSPA by some of the reference AMRs (Section 6.5). This AMR originally considered a design with backfill, and is now being updated (REV 00 ICN1) to address the design without backfill. This design change is described in ''Monitored Geologic Repository Project Description Document'' (CRWMS M&O 2000c). The design change will result in a greater ability of the waste packages to reject heat after closure of the repository, thereby maintaining the two thermal requirements. The first requirement is for protection of the fuel cladding, and the second requires that a section of the rock pillar between drifts remain below the boiling temperature of water, providing a path for water drainage.

E. Nowak

2000-11-09T23:59:59.000Z

94

Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries: Main Report  

Science Conference Proceedings (OSTI)

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.

Not Available

2002-10-01T23:59:59.000Z

95

Buildings, Energy, Greenhouse Gas, Industrial and Policy Modeling and  

NLE Websites -- All DOE Office Websites (Extended Search)

Buildings, Energy, Greenhouse Gas, Industrial and Policy Modeling and Buildings, Energy, Greenhouse Gas, Industrial and Policy Modeling and Simulation Tools Available from Energy Analysis and Environmental Impacts Department Tools header image January 2014 Tools and models to find the best way to save energy and reduce greenhouse gas emissions in cities and industries, to follow the transport of pollutants through the environment, and to calculate the cost of power interruptions are among those available on a new Lawrence Berkeley National Laboratory (Berkeley Lab) web site. The site brings together models and simulation tools developed by the Energy Analysis and Environmental Impacts (EAEI) Department of the Lab's Environmental Energy Technologies Division. "Our hope is that the site will facilitate greater technical awareness of

96

Emerging business models and trends in the mobile wireless industry  

Science Conference Proceedings (OSTI)

This paper provides a theory to account for how emerging business models and trends are driving scale and scope economies in the mobile wireless industry. Despite raising expectations, the mobile wireless industry is currently volatile. As difficult ... Keywords: alliance, bundling, convergence, mobile networks, mobile virtual network operators, mobile wireless, network sharing, service differentiation, software outsourcing, software systems, technological evolution, value chain, wireless gateways, wireless networks

Hemant K. Sabat

2007-06-01T23:59:59.000Z

97

Policy modeling for industrial energy use  

E-Print Network (OSTI)

incentives on district heating, ESCO, VA, etc Energy technology R&D energy saving, alternative energy and clean energyincentive schemes as energy saving policies potential non-regret policies higher priority on R&D investment Modeling Policies in the Clean Energy

2003-01-01T23:59:59.000Z

98

Comparison between LQCD and PNJL model at finite chemical potentials  

E-Print Network (OSTI)

Lattice QCD has the sign problem at real quark chemical potential. There are some regions with no sign problem; one is the imaginary quark chemical potential region and the others are the real and imaginary isospin chemical potential regions. We show that the Polyakov-loop extended Nambu-Jona-Lasinio (PNJL) model can reproduce LQCD data in the regions. We also determine the model parameters from the data and predict the QCD phase diagram in the real quark chemical potential region.

Sakai, Yuji; Kouno, Hiroaki; Yahiro, Masanobu

2010-01-01T23:59:59.000Z

99

AICD -- Advanced Industrial Concepts Division Biological and Chemical Technologies Research Program. 1993 Annual summary report  

DOE Green Energy (OSTI)

The annual summary report presents the fiscal year (FY) 1993 research activities and accomplishments for the United States Department of Energy (DOE) Biological and Chemical Technologies Research (BCTR) Program of the Advanced Industrial Concepts Division (AICD). This AICD program resides within the Office of Industrial Technologies (OIT) of the Office of Energy Efficiency and Renewable Energy (EE). The annual summary report for 1993 (ASR 93) contains the following: A program description (including BCTR program mission statement, historical background, relevance, goals and objectives), program structure and organization, selected technical and programmatic highlights for 1993, detailed descriptions of individual projects, a listing of program output, including a bibliography of published work, patents, and awards arising from work supported by BCTR.

Petersen, G.; Bair, K.; Ross, J. [eds.

1994-03-01T23:59:59.000Z

100

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

Open Energy Info (EERE)

of Applications for Research, Development and Analysis of Geothermal Technologies Project Type Topic 2 Integrated Chemical, Thermal, Mechanical and Hydrological Modeling...

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

Modeling of Mechano-chemical Degradation of Polymer Membranes ...  

Science Conference Proceedings (OSTI)

Abstract Scope, A transient, non-isothermal, two-dimensional (2D) model for the mechano-chemical degradation of a polymer membrane in a polymer electrolyte

102

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

Open Energy Info (EERE)

Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Geothermal Project Jump to: navigation, search Last modified...

103

DE-AC03-76SF00098. Energy Use and Energy Intensity of the U.S. Chemical Industry  

E-Print Network (OSTI)

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

Ernst Worrell; Dian Phylipsen; Dan Einstein; Nathan Martin; Ernst Worrell; Dian Phylipsen; Dan Einstein; Nathan Martin

2000-01-01T23:59:59.000Z

104

Industry  

E-Print Network (OSTI)

and power in US industry. Energy Policy, 29, pp. 1243-1254.Paris. IEA, 2004: Energy Policies of IEA Countries: Finlandand steel industry. Energy Policy, 30, pp. 827-838. Kim, Y.

Bernstein, Lenny

2008-01-01T23:59:59.000Z

105

Industrial experiences from multi-paradigmatic modelling of signal processing  

Science Conference Proceedings (OSTI)

Embedded software is often composed of interacting domains. A common problem is that the implementation intertwines the different domain solutions with each other and the platform-specific details. The result is a code mass that is hard to understand, ... Keywords: case study, digital signal processing, executable software models, telecommunications industry

Håkan Burden; Rogardt Heldal; Martin Lundqvist

2012-10-01T23:59:59.000Z

106

Risk Measures Constituting Risk Metrics for Decision Making in the Chemical Process Industry  

E-Print Network (OSTI)

The occurrence of catastrophic incidents in the process industry leave a marked legacy of resulting in staggering economic and societal losses incurred by the company, the government and the society. The work described herein is a novel approach proposed to help predict and mitigate potential catastrophes from occurring and for understanding the stakes at risk for better risk informed decision making. The methodology includes societal impact as risk measures along with tangible asset damage monetization. Predicting incidents as leading metrics is pivotal to improving plant processes and, for individual and societal safety in the vicinity of the plant (portfolio). From this study it can be concluded that the comprehensive judgments of all the risks and losses should entail the analysis of the overall results of all possible incident scenarios. Value-at-Risk (VaR) is most suitable as an overall measure for many scenarios and for large number of portfolio assets. FN-curves and F$-curves can be correlated and this is very beneficial for understanding the trends of historical incidents in the U.S. chemical process industry. Analyzing historical databases can provide valuable information on the incident occurrences and their consequences as lagging metrics (or lagging indicators) for the mitigation of the portfolio risks. From this study it can be concluded that there is a strong statistical relationship between the different consequence tiers of the safety pyramid and Heinrich‘s safety pyramid is comparable to data mined from the HSEES database. Furthermore, any chemical plant operation is robust only when a strategic balance is struck between optimal plant operations and, maintaining health, safety and sustaining environment. The balance emerges from choosing the best option amidst several conflicting parameters. Strategies for normative decision making should be utilized for making choices under uncertainty. Hence, decision theory is utilized here for laying the framework for choice making of optimum portfolio option among several competing portfolios. For understanding the strategic interactions of the different contributing representative sets that play a key role in determining the most preferred action for optimum production and safety, the concepts of game theory are utilized and framework has been provided as novel application to chemical process industry.

Prem, Katherine

2010-12-01T23:59:59.000Z

107

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

SciTech Connect

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.

NONE

1998-01-01T23:59:59.000Z

108

Discrete second order adjoints in atmospheric chemical transport modeling  

Science Conference Proceedings (OSTI)

Atmospheric chemical transport models (CTMs) are essential tools for the study of air pollution, for environmental policy decisions, for the interpretation of observational data, and for producing air quality forecasts. Many air quality studies require ... Keywords: 65, Chemical transport models, Hessian singular vectors, Optimization, Second order adjoints, Sensitivity analysis, Stiff equations

Adrian Sandu; Lin Zhang

2008-06-01T23:59:59.000Z

109

Towards cleaner combustion engines through groundbreaking detailed chemical kinetic models  

E-Print Network (OSTI)

Towards cleaner combustion engines through groundbreaking detailed chemical kinetic models of more predictive and more accurate detailed chemical kinetic models for the combustion of fuels that the combustion of liquid fuels will remain the main source of energy for transportation for the next 50 years.1

110

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

E-Print Network (OSTI)

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 are the goals and expectations for decreases in industrial energy use during the next 10-20 years? The specific energy consumption (SEC) of a plant or industry, measured in BTU of fuel used/ton of product produced, can be used to monitor the energy conserved. The rate of SEC reduction is a function of five primary variables: the potential for reduction of the SEC, the unit cost of fuel, the capital available for implementation of conservation measures, the quantity of fuel available, and the availability: of equipment to implement needed conservation measures. A mathematical-economic model is proposed for the decrease in energy use, and permits calculation of dollars saved also. Conclusions from the study are: 1) Potential savings were estimated as 20-31% of 1972 levels; through 1978 a 13-20% actual reduction in energy use has been achieved. 2) The additional can be realized by; 1982 by "strong action", or by 1987 by "moderate action". To date moderate action has been taken. 3) Overall energy conservation pays out rapidly - dollars saved return dollars invested many fold!

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

1979-01-01T23:59:59.000Z

111

Experiment-Based Model for the Chemical Interactions between Geothermal  

Open Energy Info (EERE)

Experiment-Based Model for the Chemical Interactions between Geothermal Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Geothermal Project Jump to: navigation, search Last modified on July 22, 2011. Project Title Experiment-Based Model for the Chemical Interactions between Geothermal Rocks, Supercritical Carbon Dioxide and Water Project Type / Topic 1 Recovery Act: Enhanced Geothermal Systems Component Research and Development/Analysis Project Type / Topic 2 Supercritical Carbon Dioxide / Reservoir Rock Chemical Interactions Project Description The geochemical model will be developed on a foundation of both theory and measurements of chemical and physical interactions between minerals, rocks, scCO2 and water. An experimentally validated reservoir modeling capability is critically important for the evaluation of the scCO2-EGS concept, the adoption of which could significantly enhance energy production in the USA.

112

MODELING CHEMICAL SPECIATION AND RELEASE FROM CEMENT ...  

System definition Input file (text) ... control? Water treatment Model with percolation ... MULTIELEMENT PREDICTIVE MODELLING OF pH

113

A dynamic model of industrial energy demand in Kenya  

Science Conference Proceedings (OSTI)

This paper analyses the effects of input price movements, technology changes, capacity utilization and dynamic mechanisms on energy demand structures in the Kenyan industry. This is done with the help of a variant of the second generation dynamic factor demand (econometric) model. This interrelated disequilibrium dynamic input demand econometric model is based on a long-term cost function representing production function possibilities and takes into account the asymmetry between variable inputs (electricity, other-fuels and Tabour) and quasi-fixed input (capital) by imposing restrictions on the adjustment process. Variations in capacity utilization and slow substitution process invoked by the relative input price movement justifies the nature of input demand disequilibrium. The model is estimated on two ISIS digit Kenyan industry time series data (1961 - 1988) using the Iterative Zellner generalized least square method. 31 refs., 8 tabs.

Haji, S.H.H. [Gothenburg Univ. (Sweden)

1994-12-31T23:59:59.000Z

114

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

DOE Green Energy (OSTI)

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.

Fthenakis, V.M.

1996-08-01T23:59:59.000Z

115

A model for Long-term Industrial Energy Forecasting (LIEF)  

SciTech Connect

The purpose of this report is to establish the content and structural validity of the Long-term Industrial Energy Forecasting (LIEF) model, and to provide estimates for the model`s parameters. The model is intended to provide decision makers with a relatively simple, yet credible tool to forecast the impacts of policies which affect long-term energy demand in the manufacturing sector. Particular strengths of this model are its relative simplicity which facilitates both ease of use and understanding of results, and the inclusion of relevant causal relationships which provide useful policy handles. The modeling approach of LIEF is intermediate between top-down econometric modeling and bottom-up technology models. It relies on the following simple concept, that trends in aggregate energy demand are dependent upon the factors: (1) trends in total production; (2) sectoral or structural shift, that is, changes in the mix of industrial output from energy-intensive to energy non-intensive sectors; and (3) changes in real energy intensity due to technical change and energy-price effects as measured by the amount of energy used per unit of manufacturing output (KBtu per constant $ of output). The manufacturing sector is first disaggregated according to their historic output growth rates, energy intensities and recycling opportunities. Exogenous, macroeconomic forecasts of individual subsector growth rates and energy prices can then be combined with endogenous forecasts of real energy intensity trends to yield forecasts of overall energy demand. 75 refs.

Ross, M. [Lawrence Berkeley Lab., CA (United States)]|[Michigan Univ., Ann Arbor, MI (United States). Dept. of Physics]|[Argonne National Lab., IL (United States). Environmental Assessment and Information Sciences Div.; Hwang, R. [Lawrence Berkeley Lab., CA (United States)

1992-02-01T23:59:59.000Z

116

A water utility industry conceptual asset management data warehouse model  

E-Print Network (OSTI)

Timely decision making is critical in today’s competitive business world and in recent times, data warehousing has been employed by numerous companies to satisfy the needs of accurate and timely information. Data warehousing has traditionally been employed for financial and customer relationship analysis with current applications now moving to other domains, such as the medical and power industries. The asset management industry is one that has seen great strides in recent years due to improved technology, but data warehousing of asset management information has been lacking. A literature review was undertaken to determine data warehousing applications in the area of asset management, and with the lessons learned, a conceptual model of data warehousing for asset management is proposed. The water utility industry is chosen to provide a grounded example of an enterprise data warehouse model that integrates data from various local information systems. The particular issues faced in the asset management domain are highlighted, and several water utility applications are presented. KEY WORDS: data warehousing, asset management, water utility industry, design 1.

Avin Mathew; Sheng Zhang; Lin Ma; Doug Hargreaves

2006-01-01T23:59:59.000Z

117

Modeling Chemical Reactors I: Quiescent Reactors  

E-Print Network (OSTI)

We introduce a fully generalized quiescent chemical reactor system in arbitrary space $\\vdim =1,2$ or 3, with $n\\in\\mathbb{N}$ chemical constituents $\\alpha_{i}$, where the character of the numerical solution is strongly determined by the relative scaling between the local reactivity of species $\\alpha_{i}$ and the local functional diffusivity $\\mathscr{D}_{ij}(\\alpha)$ of the reaction mixture. We develop an operator time-splitting predictor multi-corrector RK--LDG scheme, and utilize $hp$-adaptivity relying only on the entropy $\\mathscr{S}_{\\mathfrak{R}}$ of the reactive system $\\mathfrak{R}$. This condition preserves these bounded nonlinear entropy functionals as a necessarily enforced stability condition on the coupled system. We apply this scheme to a number of application problems in chemical kinetics; including a difficult classical problem arising in nonequilibrium thermodynamics known as the Belousov-Zhabotinskii reaction where we utilize a concentration-dependent diffusivity tensor $\\mathscr{D}_{ij}(...

Michoski, C E; Schmitz, P G

2010-01-01T23:59:59.000Z

118

Semantics of model views for information exchanges using the industry foundation class schema  

Science Conference Proceedings (OSTI)

The industry foundation classes (IFC) data schema is generic, designed to support the full range of model exchanges needed in the construction industry. For any particular working exchange for some sub-domain of building construction, a set of model ... Keywords: Industry foundation classes (IFC), Interoperability, Model view definitions (MVD), National BIM Standard (NBIMS), Process modeling, Product modeling

M. Venugopal; C. M. Eastman; R. Sacks; J. Teizer

2012-04-01T23:59:59.000Z

119

Industry  

NLE Websites -- All DOE Office Websites (Extended Search)

in an Appliance Industry Abstract This report provides a starting point for appliance energy efficiency policy to be informed by an understanding of: the baseline rate and...

120

The National Energy Modeling System: An Overview 1998 - Industrial...  

Gasoline and Diesel Fuel Update (EIA)

representing the value of output for each industry. The module includes industrial cogeneration of electricity that is either used in the industrial sector or sold to electric...

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

A model for Long-term Industrial Energy Forecasting (LIEF)  

SciTech Connect

The purpose of this report is to establish the content and structural validity of the Long-term Industrial Energy Forecasting (LIEF) model, and to provide estimates for the model's parameters. The model is intended to provide decision makers with a relatively simple, yet credible tool to forecast the impacts of policies which affect long-term energy demand in the manufacturing sector. Particular strengths of this model are its relative simplicity which facilitates both ease of use and understanding of results, and the inclusion of relevant causal relationships which provide useful policy handles. The modeling approach of LIEF is intermediate between top-down econometric modeling and bottom-up technology models. It relies on the following simple concept, that trends in aggregate energy demand are dependent upon the factors: (1) trends in total production; (2) sectoral or structural shift, that is, changes in the mix of industrial output from energy-intensive to energy non-intensive sectors; and (3) changes in real energy intensity due to technical change and energy-price effects as measured by the amount of energy used per unit of manufacturing output (KBtu per constant $ of output). The manufacturing sector is first disaggregated according to their historic output growth rates, energy intensities and recycling opportunities. Exogenous, macroeconomic forecasts of individual subsector growth rates and energy prices can then be combined with endogenous forecasts of real energy intensity trends to yield forecasts of overall energy demand. 75 refs.

Ross, M. (Lawrence Berkeley Lab., CA (United States) Michigan Univ., Ann Arbor, MI (United States). Dept. of Physics Argonne National Lab., IL (United States). Environmental Assessment and Information Sciences Div.); Hwang, R. (Lawrence Berkeley Lab., CA (United States))

1992-02-01T23:59:59.000Z

122

Abstract Deployment of an AEC industry sector product model  

E-Print Network (OSTI)

widely adopted within the steel construction industry. CIS/2 is an early success story of broad use of a product model for both data exchange and improving the productivity of those companies taking advantage of its capabilities. Here, we review the history of CIS/2, the methods and issues arising from its deployment, the benefits it has thus far realized and the research issues these activities have identified.

C. Eastman; F. Wang; S. -j. You; D. Yang

2004-01-01T23:59:59.000Z

123

Reaction Engineering International and Pacific Northwest Laboratory staff exchange: Addressing computational fluid dynamics needs of the chemical process industry  

SciTech Connect

Staff exchanges, such as the one described in this report, are intended to facilitate communications and collaboration among scientists and engineers at Department of Energy (DOE) laboratories, in US industry, and academia. Funding support for these exchanges is provided by the DOE, Office of Energy Research, Laboratory Technology Transfer Program. Funding levels for each exchange typically range from $20,000 to $40,000. The exchanges offer the opportunity for the laboratories to transfer technology and expertise to industry, gain a perspective to industry`s problems, and develop the basis for further cooperative efforts through Cooperative Research and Development Agreements (CRADAS) or other mechanisms. Information in this report on the staff exchange of the Pacific Northwest Laboratory (PNL) staff with Reaction Engineering International (REI) includes the significant accomplishments, significant problems, industry benefits realized, recommended follow-on work and potential benefit of that work. The objectives of this project were as follows: Work with REI to develop an understanding of the computational fluid dynamics (CFD) needs of the chemical process industry; assess the combined capabilities of the PNL and REI software analysis tools to address these needs; and establish a strategy for a future programmatically funded, joint effort to develop a new CFD tool for the chemical process industry.

Fort, J.A.

1995-07-01T23:59:59.000Z

124

Modeling Chemical Reactors I: Quiescent Reactors  

E-Print Network (OSTI)

We introduce a fully generalized quiescent chemical reactor system in arbitrary space $\\vdim =1,2$ or 3, with $n\\in\\mathbb{N}$ chemical constituents $\\alpha_{i}$, where the character of the numerical solution is strongly determined by the relative scaling between the local reactivity of species $\\alpha_{i}$ and the local functional diffusivity $\\mathscr{D}_{ij}(\\alpha)$ of the reaction mixture. We develop an operator time-splitting predictor multi-corrector RK--LDG scheme, and utilize $hp$-adaptivity relying only on the entropy $\\mathscr{S}_{\\mathfrak{R}}$ of the reactive system $\\mathfrak{R}$. This condition preserves these bounded nonlinear entropy functionals as a necessarily enforced stability condition on the coupled system. We apply this scheme to a number of application problems in chemical kinetics; including a difficult classical problem arising in nonequilibrium thermodynamics known as the Belousov-Zhabotinskii reaction where we utilize a concentration-dependent diffusivity tensor $\\mathscr{D}_{ij}(\\alpha)$, in addition to solving a simple equilibrium problem in order to evaluate the numerical error behavior.

C. E. Michoski; J. A. Evans; P. G. Schmitz

2010-12-28T23:59:59.000Z

125

Industry  

NLE Websites -- All DOE Office Websites (Extended Search)

An Exploration of Innovation and An Exploration of Innovation and Energy Efficiency in an Appliance Industry Prepared by Margaret Taylor, K. Sydny Fujita, Larry Dale, and James McMahon For the European Council for an Energy Efficient Economy March 29, 2012 ERNEST ORLANDO LAWRENCE BERKELEY NATIONAL LABORATORY LBNL - 5689E An Exploration of Innovation and Energy Efficiency in an Appliance Industry Abstract This report provides a starting point for appliance energy efficiency policy to be informed by an understanding of: the baseline rate and direction of technological change of product industries; the factors that underlie the outcomes of innovation in these industries; and the ways the innovation system might respond to any given intervention. The report provides an overview of the dynamics of energy efficiency policy and innovation in the appliance

126

Industry  

E-Print Network (OSTI)

milling industry: An ENERGY STAR Guide for Energy and Plantcement mak- ing - An ENERGY STAR Guide for Energy and Plantre- fineries - An ENERGY STAR Guide for Energy and Plant

Bernstein, Lenny

2008-01-01T23:59:59.000Z

127

Singular Vector Analysis for Atmospheric Chemical Transport Models  

Science Conference Proceedings (OSTI)

The singular vectors of a chemical transport model are the directions of maximum perturbation growth over a finite time interval. They have proved useful for the estimation of error growth, the initialization of ensemble forecasts, and the ...

Wenyuan Liao; Adrian Sandu; Gregory R. Carmichael; Tianfeng Chai

2006-09-01T23:59:59.000Z

128

Application of fundamental kinetic modeling to industrial chlorination and partial oxidation processes  

E-Print Network (OSTI)

The Fundamental Kinetic Modeling (FKM) method is able to use a growing amount of elementary kinetic rate constant data to simulate industrial reactions and therefore gain insight and predictive capabilities beyond those of traditional empirical kinetic models. Because traditional empirical kinetic models often simplify the underlying kinetics into a single overall reaction, these recently determined values cannot be used directly. In addition to simulating irreducible chemical events as opposed to an overall reaction, the FKM does not make assumptions about microscopic reversibility. To obtain the reverse rate constants, the thermophysical properties for the species are required. Advances in computing technology have made ab initio quantum chemical calculations feasible for oxygenated and chlorinated hydrocarbons. Thermophysical properties for species that cannot be obtained experimentally are now available with greater accuracy than using prior estimating techniques. The FKM method is able to use these values to obtain information about temperature and concentration profiles as well as product distributions and selectivities for a variety of reactor configurations. The application of the FKM method to industrial reactions could be used to optimize existing operating conditions or to predict novel processes. One such chemistry is the oxychlorination of ethane to vinyl chloride. The problem is most easily solved in three steps: the development of a thermal chlorination model, the development of a partial oxidation model, and the combination of the two models with the necessary additional species and reactions. This work focuses on the first two steps. A thermal chlorination model is verified against two sources of experimental data with good quantitative agreement. In addition, differences in product distributions are explained by examining the kinetic pathways. Also, an existing partial oxidation model is combined with newly calculated thermophysical properties. The agreement with two experimental data sources is not as good quantitatively; however, qualitative agreement is observed. Areas for improvement to obtain quantitative agreement are determined.

Han, Joseph Hsiao-Tien

2000-01-01T23:59:59.000Z

129

Chemical Kinetic Models for HCCI and Diesel Combustion  

DOE Green Energy (OSTI)

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.

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

2010-11-15T23:59:59.000Z

130

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

SciTech Connect

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

Yaroslav Chudnovsky; Aleksandr Kozlov

2006-10-12T23:59:59.000Z

131

Chemical Kinetic Models for HCCI and Diesel Combustion  

DOE Green Energy (OSTI)

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.

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

2008-10-30T23:59:59.000Z

132

Final Report - Chemical Industry Corrosion Management - A Comprehensive Information System (ASSET 2)  

SciTech Connect

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.

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

2008-10-10T23:59:59.000Z

133

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

E-Print Network (OSTI)

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.

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

2008-04-23T23:59:59.000Z

134

IMPACTS: Industrial Technologies Program, Summary of Program Results for CY2009, Appendix 2: ITP Emerging Technologies  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

127 DOE Industrial Technologies Program 127 DOE Industrial Technologies Program Appendix 2: ITP Emerging Technologies Aluminum ............................................................................................................................................................................ 130 u Direct Chill Casting Model ................................................................................................................................................................130 Chemicals............................................................................................................................................................................ 130

135

Chemical Geothermometers And Mixing Models For Geothermal Systems | Open  

Open Energy Info (EERE)

Geothermometers And Mixing Models For Geothermal Systems Geothermometers And Mixing Models For Geothermal Systems Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Journal Article: Chemical Geothermometers And Mixing Models For Geothermal Systems Details Activities (1) Areas (1) Regions (0) Abstract: Qualitative chemical geothermometers utilize anomalous concentrations of various "indicator" elements in groundwaters, streams, soils, and soil gases to outline favorable places to explore for geothermal energy. Some of the qualitative methods, such as the delineation of mercury and helium anomalies in soil gases, do not require the presence of hot springs or fumaroles. However, these techniques may also outline fossil thermal areas that are now cold. Quantitative chemical geothermometers and mixing models can provide information about present probable minimum

136

Simulation of the 3-state Potts model with chemical potential  

SciTech Connect

The 3-state Potts model with chemical potential is mapped to a flux representation where the complex action problem is resolved. We perform a Monte Carlo simulation based on a worm algorithm to study the phase diagram of the model. Our results shed light on the role which center symmetry and its breaking play for the QCD phase diagram.

Mercado, Ydalia Delgado; Gattringer, Christof [Institute of Physics, Karl-Franzens University Graz (Austria); Evertz, Hans Gerd [Institute of Theoretical and Computational Physics, Technical University Graz (Austria)

2011-05-23T23:59:59.000Z

137

Acid-base chemical reaction model for nucleation rates in the...  

NLE Websites -- All DOE Office Websites (Extended Search)

Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer Title Acid-base chemical reaction model for nucleation rates in the polluted...

138

Development of a computer-aided fault tree synthesis methodology for quantitative risk analysis in the chemical process industry  

E-Print Network (OSTI)

There has been growing public concern regarding the threat to people and environment from industrial activities, thus more rigorous regulations. The investigation of almost all the major accidents shows that we could have avoided those tragedies with effective risk analysis and safety management programs. High-quality risk analysis is absolutely necessary for sustainable development. As a powerful and systematic tool, fault tree analysis (FTA) has been adapted to the particular need of chemical process quantitative risk analysis (CPQRA) and found great applications. However, the application of FTA in the chemical process industry (CPI) is limited. One major barrier is the manual synthesis of fault trees. It requires a thorough understanding of the process and is vulnerable to individual subjectivity. The quality of FTA can be highly subjective and variable. The availability of a computer-based FTA methodology will greatly benefit the CPI. The primary objective of this research is to develop a computer-aided fault tree synthesis methodology for CPQRA. The central idea is to capture the cause-and-effect logic around each item of equipment directly into mini fault trees. Special fault tree models have been developed to manage special features. Fault trees created by this method are expected to be concise. A prototype computer program is provided to illustrate the methodology. Ideally, FTA can be standardized through a computer package that reads information contained in process block diagrams and provides automatic aids to assist engineers in generating and analyzing fault trees. Another important issue with regard to QRA is the large uncertainty associated with available failure rate data. In the CPI, the ranges of failure rates observed could be quite wide. Traditional reliability studies using point values of failure rates may result in misleading conclusions. This dissertation discusses the uncertainty with failure rate data and proposes a procedure to deal with data uncertainty in determining safety integrity level (SIL) for a safety instrumented system (SIS). Efforts must be carried out to obtain more accurate values of those data that might actually impact the estimation of SIL. This procedure guides process hazard analysts toward a more accurate SIL estimation and avoids misleading results due to data uncertainty.

Wang, Yanjun

2004-12-01T23:59:59.000Z

139

Modeling of the solids transportation within an industrial rotary dryer: A simple model  

SciTech Connect

To better understand the underlying phenomena taking place in an industrial rotary dryer and to determine the optimum operating conditions, a simulator in which the solids transportation, the gas flow, and the heat and mass transfer are modeled is currently being developed. This paper describes the use of interactive perfect mixers in series to model the solids transportation within an industrial rotary dryer, on the basis of an experimental residence time distribution curve (RTD). Two simple models are proposed: a series of perfect well-mixed interacting tanks and a modified Cholette-Cloutier model. The first model is not able to account for the nonideal behavior of the solids transportation in the rotary dryer. To account for the characteristic extended tail of the RTD curves observed in industrial dryers, in a second model, the solid phase is divided between an active and a dead zone. This model, with 36 cells and 25% of the volume occupied by the dead zones, modeled very well the industrial RTD curve. In addition, the model produces bed depth and axial velocity profiles that are consistent with those reported in the literature.

Duchesne, C.; Thibault, J.; Bazin, C. [Laval Univ., Sainte-Foy, Quebec (Canada)] [Laval Univ., Sainte-Foy, Quebec (Canada)

1996-07-01T23:59:59.000Z

140

Industrial Combustion Emissions (ICE) model, Version 6. 0. Model-Simulation  

SciTech Connect

The Industrial Combustion Emissions (ICE) Model was developed by the Environmental Protection Agency for use by the National Acid Precipitation Assessment Program (NAPAP) in preparing future assessments of industrial-boiler emissions. The ICE Model user's manual includes a summary of user options and software characteristics, a description of the input data files, and a description of the procedures for operation of the ICE Model. Proper formatting of files and creation of job-control language are discussed. The ICE Model projects for each State the sulfur dioxide, sulfates, and nitrogen oxides emissions from fossil fuel combustion in industrial boilers. Projections of emissions and costs of boiler generation, including emission-control costs, are projected for the years 1985, 1990, 1995, 2000, 2010, 2020, and 2030.

Elliott, D.J.; Hogan, T.

1987-12-01T23:59:59.000Z

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141

Progress in Chemical Kinetic Modeling for Surrogate Fuels  

DOE Green Energy (OSTI)

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.

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

2008-06-06T23:59:59.000Z

142

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

E-Print Network (OSTI)

"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 Model), is designed to test the impact of DOE R&D on energy use in the economy. The “stochastic” part of this model will also allow examination of the risks associated with sudden oil shocks, imposition of carbon taxes or trading schemes, and other shocks to the energy economy. SEDS is organized by supply-side and demand-side sectors. The supply-side sectors include electricity, liquid fuels, natural gas, coal, and various renewable energy options. On the demand side, there are the usual suspects: industry, commercial buildings, residential buildings, and two transport sectors, light-duty vehicles and heavy-duty vehicles. The industrial sector is currently modeled as a single sector, using the latest Manufacturing Energy Consumption Survey (MECS) to calibrate energy consumption to end-use energy categories: boilers, process heating, electro-chemical processes, and other process requirements. As with the CIMS model, these process requirements have ancillary requirements – conveyance, motor drive, pumps, fans, and compressors – that all require certain classes of motors. Lighting and HVAC are considered separately from process requirements. The current version of SEDS, called SEDS-Lite, has technology detail in many sectors, but these are quite simple. The intent is to add detail over time: this year, we expect to add a pulp and paper sector and a iron and steel sector, pull these and petroleum refining out of the aggregate industrial sector, and add the non-manufacturing industrial component to the model. In future years, we expect the industrial detail to replicate CIMS. Our simulations with the industrial sector of SEDS-Lite will show how closely it tracks the NEMS forecasts. Other simulations will demonstrate how the stochastic component can be used to show industry"

Roop, J. M.

2009-05-01T23:59:59.000Z

143

Industrial  

Gasoline and Diesel Fuel Update (EIA)

Industrial Industrial 8,870,422 44.3% Commercial 3,158,244 15.8% Electric Utilities 2,732,496 13.7% Residential 5,241,414 26.2% Source: Energy Information Administration (EIA), Form EIA-176, "Annual Report of Natural and Supplemental Gas Supply and Disposition." T e x a s L o u i s i a n a C a l i f o r n i a A l l O t h e r S t a t e s 0 1 2 3 4 5 0 30 60 90 120 Trillion Cubic Feet Industrial Billion Cubic Meters T e x a s C a l i f o r n i a F l o r i d a A l l O t h e r S t a t e s 0 1 2 3 4 5 0 30 60 90 120 Trillion Cubic Feet Electric Utilities Billion Cubic Meters N e w Y o r k C a l i f o r n i a I l l i n o i s A l l O t h e r S t a t e s 0 1 2 3 4 5 0 30 60 90 120 Trillion Cubic Feet Commercial Billion Cubic Meters I l l i n o i s C a l i f o r n i a N e w Y o r k A l l O t h e r S t a t e s 0 1 2 3 4 5 0 30 60 90 120 Trillion Cubic Feet Residential Billion Cubic Meters 11. Natural Gas Delivered to Consumers in the United States, 1996 Figure Volumes in Million Cubic Feet Energy Information Administration

144

Bulk chemicals industry uses 5% of U.S. energy - Today in Energy ...  

U.S. Energy Information Administration (EIA)

Because of ripple effects and interconnectivity with the economy, changes in this industry are not necessarily reflected in these data. Over the long term, ...

145

Bulk chemicals industry uses 5% of U.S. energy - Today in ...  

U.S. Energy Information Administration (EIA)

The industrial sector is responsible for nearly a third of total energy use in the United States, consuming an estimated 31 quadrillion Btu in 2012.

146

Business models for information commons in the pharmaceutical industry  

E-Print Network (OSTI)

The pharmaceutical industry needs new modes of innovation. The industry's innovation system - based on massive investments in R&D protected by intellectual property rights - has worked well for many years, providing ...

Bharadwaj, Ragu

2009-01-01T23:59:59.000Z

147

Physical Model Explaining the Periodic Pattern of the Chemical Elements  

E-Print Network (OSTI)

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 be developed if the positions of the nucleons are preserved. Thus the phase of the nucleus must be solid where the positions of the nucleons are preserved in a 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. Using this nuclear structure model, an attempt is made here to give a physical explanation for the periodicity of the chemical elements.

Jozsef Garai

2011-01-24T23:59:59.000Z

148

Development of Chemical Model to Predict the Interactions between  

Open Energy Info (EERE)

Model to Predict the Interactions between Model to Predict the Interactions between Supercritical CO2 and Fluid, Rocks in EGS Reservoirs Geothermal Project Jump to: navigation, search Last modified on July 22, 2011. Project Title Development of Chemical Model to Predict the Interactions between Supercritical CO2 and Fluid, Rocks in EGS Reservoirs Project Type / Topic 1 Recovery Act: Enhanced Geothermal Systems Component Research and Development/Analysis Project Type / Topic 2 Supercritical Carbon Dioxide / Reservoir Rock Chemical Interactions Project Description In order to develop this model, databases will be assembled and/or updated for thermodynamic and kinetic rate laws for water/brine/rock/CO2 interactions at the pressures and temperatures common to EGS systems. In addition to a literature search, extrapolation of existing data and experimental laboratory work will be conducted to calibrate and verify the datasets.

149

Geothermal Chemical Modeling Project DOE Advanced Brine Chemistry Program  

DOE Green Energy (OSTI)

The brine-calcite-anhydrite-silica scale model program is ready to be used by the industry at a research level. Versions are already in use in studies of scaling in geothermal and oil production systems. A set of short course notes has been prepared to help perspective users. IBM and Macintosh versions of the model are available. The gas phase models have been incorporated in the general package for distribution. Both mainframe (SUN) and PC versions (MacIntosh and IBM) of the code have been distributed.

Moeller, N.; Weare, J.H.

1993-04-01T23:59:59.000Z

150

What can be learned from classical inventory models: a cross-industry empirical investigation  

E-Print Network (OSTI)

Abstract: Classical inventory models offer a variety of insights into the optimal way to manage inventories of individual products. However, top managers and industry analysts are often concerned with the aggregate macroscopic view of a firm’s inventory rather than with the inventories of individual products. Given that classical inventory models often do not account for many practical considerations that a company’s management faces (e.g., competition, industry dynamics, business cycles, the financial state of the company and of the economy, etc.) and that they are derived at the product and not at the firm level, can insights from these models be used to explain the inventory dynamics of entire companies? This exploratory study aims to address this issue using empirical data. We analyze absolute and relative inventories using a quarterly data panel that contains 722 public US companies for the period 1992 to 2002. We have chosen companies that are not widely diversified and whose business in large part relies on inventory management in order to concentrate on empirically testing hypotheses derived from a variety of classical inventory models (EOQ, (Q,r), newsvendor, periodic review, etc.). We find empirical evidence that firms operating with more uncertain demand, longer lead times and higher gross margins have higher inventory levels. Furthermore, larger companies appear to benefit from economies of scale and therefore have relatively less inventory than smaller companies. We obtain mixed evidence on the relationship between inventory levels and inventory holding costs. We also analyze the breakdown of data into eight segments—oil and gas, electronics, wholesale, retail, machinery, hardware, food and chemicals—and find that, with a few notable exceptions, our hypotheses are supported within the segments as well. Overall, our results demonstrate that many of the predictions from classical inventory models extend beyond individual products to the more aggregate firm level; hence, these models can help with high-level strategic choices in addition to tactical decisions.

Serguei Roumiantsev; Serguei Netessine

2006-01-01T23:59:59.000Z

151

Final Report: Technical Support for Innovative Energy Systems the U.S. Chemical Industry -- Innovative Energy Systems Pilot Project - Chemicals Project Integrator  

SciTech Connect

The University of Illinois at Chicago Energy Resources Center (UIC/ERC) was originally selected to carry out the role of project integrator for a planned solicitation calling for proposals for innovative concepts for energy efficient systems in the chemical industry. The selection was made as a result of a DOE Announcement of Funding Opportunity issued by the DOE Golden Field Office. The U.S. DOE, due to funding constraints, decided to change the role of project integrator into one of technical support to DOE and the Vision 2020 Steering Committee in carrying out the oversight and management of the projects selected from the planned innovative concepts solicitation. This project, initiated in April, 2005, was established to provide that technical support to the U.S. DOE Innovative Energy Systems Pilot Project for the US Chemical Industry. In the late summer of 2006, and as a continuation of the baseline technology analysis conducted by UIC/ERC under this project, DOE requested that UIC/ERC assist in the development of “technology briefs” in support of the DOE Save Energy Now program. The 100 technology briefs developed under this contract were utilized by the Energy Experts as part of their Energy Saving Assessments (ESA).

John Cuttica - Principal Investigator; Dr Steffen Mueller - Lead Engineer

2008-10-30T23:59:59.000Z

152

Industrial Utilization of Surfactants: Principles & PracticeCh 4 Chemical Structure and Microenvironmental Effects on Surfactant Fundamental Properties/Related Performance Properties  

Science Conference Proceedings (OSTI)

Industrial Utilization of Surfactants: Principles & Practice Ch 4 Chemical Structure and Microenvironmental Effects on Surfactant Fundamental Properties/Related Performance Properties Surfactants and Detergents eChapters Surfactants - Dete

153

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

E-Print Network (OSTI)

vary. For example, according to Exxon Chemical Company BasicDuPont Eastman Equistar Exxon Baton Rouge Baytown Point700kt in 1997 by Lummus/Exxon Kellogg Millisecond; Expansion

Worrell, Ernst; Phylipsen, Dian; Einstein, Dan; Martin, Nathan

2000-01-01T23:59:59.000Z

154

Martin Karplus and Computer Modeling for Chemical Systems  

Office of Scientific and Technical Information (OSTI)

Martin Karplus and Computer Modeling for Chemical Systems Martin Karplus and Computer Modeling for Chemical Systems Resources with Additional Information · Karplus Equation Martin Karplus ©Portrait by N. Pitt, 9/10/03 Martin Karplus, the Theodore William Richards Professor of Chemistry Emeritus at Harvard, is one of three winners of the 2013 Nobel Prize in chemistry... The 83-year-old Vienna-born theoretical chemist, who is also affiliated with the Université de Strasbourg, Strasbourg, France, is a 1951 graduate of Harvard College and earned his Ph.D. in 1953 at the California Institute of Technology. While there, he worked with two-time Nobel laureate Linus Pauling, whom Karplus described as an important early influence. He shared the Nobel with researchers Michael Levitt of Stanford University and Arieh Warshel of the University of Southern California, Los Angeles. Warshel was once a postdoctoral student of Karplus ...

155

Probabilistic consequence model of accidenal or intentional chemical releases.  

SciTech Connect

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

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

2008-06-02T23:59:59.000Z

156

Self-consistent chemical model of partially ionized plasmas  

Science Conference Proceedings (OSTI)

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

Arkhipov, Yu. V.; Baimbetov, F. B.; Davletov, A. E. [Department of Physics, Kazakh National University, Tole Bi 96, Almaty 050012 (Kazakhstan)

2011-01-15T23:59:59.000Z

157

Coupled Thermal-Chemical-Mechanical Modeling of Validation Cookoff Experiments  

DOE Green Energy (OSTI)

The cookoff of energetic materials involves the combined effects of several physical and chemical processes. These processes include heat transfer, chemical decomposition, and mechanical response. The interaction and coupling between these processes influence both the time-to-event and the violence of reaction. The prediction of the behavior of explosives during cookoff, particularly with respect to reaction violence, is a challenging task. To this end, a joint DoD/DOE program has been initiated to develop models for cookoff, and to perform experiments to validate those models. In this paper, a series of cookoff analyses are presented and compared with data from a number of experiments for the aluminized, RDX-based, Navy explosive PBXN-109. The traditional thermal-chemical analysis is used to calculate time-to-event and characterize the heat transfer and boundary conditions. A reaction mechanism based on Tarver and McGuire's work on RDX{sup 2} was adjusted to match the spherical one-dimensional time-to-explosion data. The predicted time-to-event using this reaction mechanism compares favorably with the validation tests. Coupled thermal-chemical-mechanical analysis is used to calculate the mechanical response of the confinement and the energetic material state prior to ignition. The predicted state of the material includes the temperature, stress-field, porosity, and extent of reaction. There is little experimental data for comparison to these calculations. The hoop strain in the confining steel tube gives an estimation of the radial stress in the explosive. The inferred pressure from the measured hoop strain and calculated radial stress agree qualitatively. However, validation of the mechanical response model and the chemical reaction mechanism requires more data. A post-ignition burn dynamics model was applied to calculate the confinement dynamics. The burn dynamics calculations suffer from a lack of characterization of the confinement for the flaw-dominated failure mode experienced in the tests. High-pressure burning rates are needed for more detailed post-ignition studies. Sub-models for chemistry, mechanical response and burn dynamics need to be validated against data from less complex experiments. The sub-models can then be used in integrated analysis for comparison with experimental data taken during integrated tests.

ERIKSON,WILLIAM W.; SCHMITT,ROBERT G.; ATWOOD,A.I.; CURRAN,P.D.

2000-11-27T23:59:59.000Z

158

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

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.

Ray, W. Harmon

2002-06-05T23:59:59.000Z

159

Aerosols and clouds in chemical transport models and climate models.  

Science Conference Proceedings (OSTI)

Clouds exert major influences on both shortwave and longwave radiation as well as on the hydrological cycle. Accurate representation of clouds in climate models is a major unsolved problem because of high sensitivity of radiation and hydrology to cloud properties and processes, incomplete understanding of these processes, and the wide range of length scales over which these processes occur. Small changes in the amount, altitude, physical thickness, and/or microphysical properties of clouds due to human influences can exert changes in Earth's radiation budget that are comparable to the radiative forcing by anthropogenic greenhouse gases, thus either partly offsetting or enhancing the warming due to these gases. Because clouds form on aerosol particles, changes in the amount and/or composition of aerosols affect clouds in a variety of ways. The forcing of the radiation balance due to aerosol-cloud interactions (indirect aerosol effect) has large uncertainties because a variety of important processes are not well understood precluding their accurate representation in models.

Lohmann,U.; Schwartz, S. E.

2008-03-02T23:59:59.000Z

160

Gas transport model for chemical vapor infiltration. Topical report  

Science Conference Proceedings (OSTI)

A node-bond percolation model is presented for the gas permeability and pore surface area of the coarse porosity in woven fiber structures during densification by chemical vapor infiltration (CVI). Model parameters include the number of nodes per unit volume and their spatial distribution, and the node and bond radii and their variability. These parameters relate directly to structural features of the weave. Some uncertainty exists in the proper partition of the porosity between {open_quotes}node{close_quotes} and{open_quote}bond{close_quotes} and between intra-tow and inter-tow, although the total is constrained by the known fiber loading in the structure. Applied to cloth layup preforms the model gives good agreement with the limited number of available measurements.

Starr, T.L. [Georgia Institute of Technology, Atlanta, GA (United States). School of Materials Science and Engineering

1995-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Benefits of Industrial Boiler Control and Economic Load Allocation at AMOCO Chemicals, Decatur, Alabama  

E-Print Network (OSTI)

The objective of this paper is to provide an overview of the economic benefits realized by Amoco's Decatur plant from the utilization of Honeywell's Industrial Boiler Control solution and Turbo Economic Load Allocation packages on an integrated four boiler system. The boiler control scheme, integrated header pressure control scheme, boiler efficiency measurement, the concepts involved in the economic load allocation problem and the solution to this problem, as applied to the Amoco Decatur site will be discussed. In addition, actual fuel savings achieved from the use of a DCS boiler control solution coupled with the application of economic load allocation will be presented, based on several months of plant data.

Winter, J.

1998-04-01T23:59:59.000Z

162

Mathematical models of thermal and chemical transport in geologic media  

DOE Green Energy (OSTI)

Semi-analytical and numerical methods are used to investigate thermal and chemical transport processes in geologic media. The work is divided into two parts: (1) development of semi-analytical models for the analysis of uncoupled isothermal and nonisothermal fluid flow in naturally fractured media, and (2) development of a high resolution numerical code to address coupled nonisothermal chemical transport in geologic media. A semi-analytical model is developed for well test data analysis in naturally fractured reservoirs. A simple approximate analytical solution for pressure buildup and drawdown tests is developed. Methods based on the approximate solution are developed for the evaluation of important reservoir properties. Type curves for nonisothermal fluid flow in naturally fractured media are developed to design injection systems for maximum energy in hydrothermal systems. An accurate finite difference method for the solution of a convection-diffusion type equation is developed. The method is incorporated in a two-dimensional code to investigate free convection in a porous slab and kinetic silica-water reactions in geothermal systems. A multicomponent model considering the variations of pressure, temperature and silica concentration is developed to interpret the evolution of geothermal systems during exploitation.

Lai, C.-H.

1985-12-01T23:59:59.000Z

163

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

E-Print Network (OSTI)

The University of Tennessee is one of three universities selected by the Industrial Energy Conservation Program of the Department of Energy to develop and demonstrate the concept of an Energy Analysis and Diagnostics Center (EADC). The objective of the EADC program is to develop and demonstrate the methodology through which universities may provide assistance to small manufacturing firms in identifying and analyzing energy conservation opportunities. The University of Tennessee EADC has completed 52 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 day on-site energy audit; (3) Analyzing each ECO for potential energy consumption and cost savings; (4) Preparing a technical report to the firm which contains specific recommendations of economically feasible ECO's; (5) Providing the firm with the appropriate financial analysis. The main emphasis of the process is on quantification of potential energy savings so that the firm has the necessary quantitative data for making a capital investment decision. The average benefit cost ratio of the EADC program has been calculated to be approximately 8. Reduction in annual energy consumption identified from the ECO's was approximately 13% and reduction in annual energy costs was approximately 10%. The entire process is described in sufficient detail to permit other universities to follow the field tested methodology and develop their own programs.

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

1980-01-01T23:59:59.000Z

164

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

E-Print Network (OSTI)

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 Recovery Tax Act of 1981 (ERTA), and the significant reduction in effective tax rates for eight of eighteen U.S. industries. Past research has focused on the simple passage of "pro-business" legislation, failing to provide adequate evidence as to who benefits or how they benefit from the legislation. The Boolean analysis used in this study indicates that a distinct combination of both political action and economic factors present a clear pattern of causal conditions associated with both tax winners and losers. Using three separate analyses, the theoretically exclusive explanations offered by both class dominance and structural theories fail to provide any clear explanations. Tax policy is associated with a set of conditions that are conjunctural in nature, supporting a combined model. Strong PAC contributions, number of registered lobbyists, and outside lobby firms in association with a strong federal relationship, and either total economic strength or strong inter-industry relations produced the specific conjunctural patterns associated with "winning' industries. Lack of significant PAC contributions to the House Ways and Means and Senate Finance Committees insured an industries failure to benefit from the legislative change. The results from this study indicate that a new theoretical model is needed that incorporates the complexity of the interdependent-relationships of political and economic conditions. Evolving from the mutually exclusive theoretical explanations of the past, class segmentation, political dominance, and structural economic explanations are brought back together in a manner that exposes the complexity of the relationships resulted in tangible benefits from the passage of ERTA.

Kardell, Amy Louise

2005-05-01T23:59:59.000Z

165

Bio-butanol: Combustion properties and detailed chemical kinetic model  

Science Conference Proceedings (OSTI)

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)

Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V. [Combustion Chemistry Centre, National University of Ireland, Galway (Ireland)

2010-02-15T23:59:59.000Z

166

Integrated Tribo-Chemical Modeling of Copper CMP  

E-Print Network (OSTI)

Wafer Co ntact Area in Chemical Mechanical Planarization”V9 1, 2006 Spring 5. L.M. Cook, “Chemical processes in glassMechanisms of Copper Chemical Mechanical Planarization (

Shantanu Tripathi; Choi, Seungchoun; Doyle, Fiona M; Dornfeld, David

2009-01-01T23:59:59.000Z

167

Model simplification of chemical kinetic systems under uncertainty  

E-Print Network (OSTI)

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 ...

Coles, Thomas Michael Kyte

2011-01-01T23:59:59.000Z

168

High Temperature Chemical Kinetic Combustion Modeling of Lightly Methylated Alkanes  

DOE Green Energy (OSTI)

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.

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

2011-03-01T23:59:59.000Z

169

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 these strengths is linked to challenges when it comes to forecasting the impact of greenhouse gas policy. We

170

Enzyme catalysts for a biotechnology-based chemical industry. Quarterly progress report, September 29--December 28, 1997  

DOE Green Energy (OSTI)

The goal of this research is to engineer enzymes to be efficient and economically attractive catalysts for the chemical industry. The author is attempting to demonstrate generally-applicable approaches to enzyme improvement as well as develop specific catalysts for potential industrial application. In this report attention is focused on random mutagenesis of pNB esterase -- improved activity and stability. The most thermostable esterases obtained by sequential random mutagenesis (6H7) and random mutagenesis plus recombination (6sF9) each contain 9 amino acid mutations and a number of silent mutations, relative to the wild-type sequence. Eight of the mutations are present in both genes, for a total of ten potentially adaptive mutations. Because several of these mutations occurred in the same generation, it is difficult to identify the mutations responsible for the increases in activity and stability. In order to aid in this identification, the thermostable genes were recombined with the wild-type gene, in hopes of removing neutral mutations. The gene from the first-generation variant, with five amino acid substitutions was also recombined with wild-type.

Arnold, F.H.

1998-01-15T23:59:59.000Z

171

Development of a model for reactive emissions from industrial stacks  

Science Conference Proceedings (OSTI)

We have developed a model, CAPAS, capable of estimating short-term concentrations of primary and secondary pollutants resulting from point source emissions. The model is designed to simulate the complex interaction of plume dispersion and non-linear ... Keywords: Air pollutants, Dispersion models, Non-linear chemistry, Plume reactivity, Stiff solvers

Luis E. Olcese; Beatriz M. Toselli

2005-10-01T23:59:59.000Z

172

Application of Thermochemical Modeling to Chemical Vapor Deposition  

Science Conference Proceedings (OSTI)

Thermochemical modeling of a CVD process is relatively easy as compared to developing a full computational fluid dynamics description coupled with reaction kinetics for a geometrically complex system. As such, a thermochemical computational study should be performed before embarking on the development of any new CVD process or material. The results of this kind of analysis can provide important information about whether the phases of interest are thermochemically allowed to form from a proposed precursor system. It can also indicate whether secondary phases can form, and give some idea as to the maximum theoretical efficiency of the process. All of this information is predicated on reaching chemical equilibrium in a system, which is the fundamental assumption of thermochemical analysis. Yet, the presumption of chemical equilibrium is not realistic given the relatively short residence time of precursors in CVD reactors. However, reactions will proceed toward equilibrium to a sufficient extent that it is a reasonable assumption for gaining process insights. In addition, it is possible to constrain equilibrium calculations to provide a more realistic result, for example, by eliminating a phase from consideration when it is known that kinetic or steric conditions will prevent its formation even when it is thermochemically permitted.

Besmann, Theodore M [ORNL

2009-01-01T23:59:59.000Z

173

Numerical Modeling of the Turbulent Fluxes of Chemically Reactive Trace Gases in the Atmospheric Boundary Layer  

Science Conference Proceedings (OSTI)

Turbulent fluxes of chemically reactive trace gases in the neutral atmospheric boundary layer (ABL) were simulated with a one-dimensional, coupled diffusion-chemistry model. The effects of rapid chemical reactions were included with a suite of ...

W. Gao; M. L. Wesely

1994-07-01T23:59:59.000Z

174

Reducing the Anaerobic Digestion Model N1 for its application to an industrial wastewater treatment plant  

E-Print Network (OSTI)

the Anaerobic Digestion Model N°1 for its application to an industrial wastewater treatment plant treating 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 2 Abstract The Anaerobic Digestion Model N°1 (ADM1., 2005). Anaerobic digestion process involves many interactions between species that may not all have

175

Analysis of the industrial sector representation in the Fossil2 energy-economic model  

SciTech Connect

The Fossil2 energy-economic model is used by the US Department of Energy (DOE) for a variety of energy and environmental policy analyses. A number of improvements to the model are under way or are being considered. This report was prepared by the Pacific Northwest Laboratory (PNL) to provide a clearer understanding of the current industrial sector module of Fossil2 and to explore strategies for improving it. The report includes a detailed description of the structure and decision logic of the industrial sector module, along with results from several simulation exercises to demonstrate the behavior of the module in different policy scenarios and under different values of key model parameters. The cases were run with the Fossil2 model at PNL using the National Energy Strategy Actions Case of 1991 as the point of departure. The report also includes a discussion of suggested industrial sector module improvements. These improvements include changes in the way the current model is used; on- and off-line adjustments to some of the model`s parameters; and significant changes to include more detail on the industrial processes, technologies, and regions of the country being modeled. The potential benefits and costs of these changes are also discussed.

Wise, M.A.; Woodruff, M.G.; Ashton, W.B.

1992-08-01T23:59:59.000Z

176

A flexible computer software package for industrial steam reformers and methanators based on rigorous heterogeneous mathematical models  

Science Conference Proceedings (OSTI)

An advanced software package for industrial steam reformers based upon heterogeneous models for the catalyst tube is developed and successfully checked against a number of top-fired and side-fired industrial reformers. The package is further developed ...

F. M. Alhabdan; M. A. Abashar; S. S. E. Elnashaie

1992-11-01T23:59:59.000Z

177

Application of chemical kinetic modeling to improve design and performance criteria for a practical incineration system.  

E-Print Network (OSTI)

??In this study, detailed thermo-chemical kinetics with networked ideal reactor model were applied to simulate a practical combustion system -the Secondary Combustion Chamber (SCC) of… (more)

Bass, Jr., Charles A.

2002-01-01T23:59:59.000Z

178

Applications of Thermo-Chemical and Thermo-Physical Models in ...  

Science Conference Proceedings (OSTI)

Presentation Title, Applications of Thermo-Chemical and Thermo-Physical Models in the ... Continuous Casting Simulation of 2304 Duplex Stainless Steel Via ...

179

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

E-Print Network (OSTI)

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

Mcdonough, William F.

180

Catalytic Hydroprocessing of Chemical Models for Bio-oil  

Science Conference Proceedings (OSTI)

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

Elliott, Douglas C.; Hart, Todd R.

2009-02-20T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Analysis of the industrial sector representation in the Fossil2 energy-economic model  

SciTech Connect

The Fossil2 energy-economic model is used by the US Department of Energy (DOE) for a variety of energy and environmental policy analyses. A number of improvements to the model are under way or are being considered. This report was prepared by the Pacific Northwest Laboratory (PNL) to provide a clearer understanding of the current industrial sector module of Fossil2 and to explore strategies for improving it. The report includes a detailed description of the structure and decision logic of the industrial sector module, along with results from several simulation exercises to demonstrate the behavior of the module in different policy scenarios and under different values of key model parameters. The cases were run with the Fossil2 model at PNL using the National Energy Strategy Actions Case of 1991 as the point of departure. The report also includes a discussion of suggested industrial sector module improvements. These improvements include changes in the way the current model is used; on- and off-line adjustments to some of the model's parameters; and significant changes to include more detail on the industrial processes, technologies, and regions of the country being modeled. The potential benefits and costs of these changes are also discussed.

Wise, M.A.; Woodruff, M.G.; Ashton, W.B.

1992-08-01T23:59:59.000Z

182

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

Science Conference Proceedings (OSTI)

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.

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

2008-10-07T23:59:59.000Z

183

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

Science Conference Proceedings (OSTI)

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.

Ma, J.; Zitney, S.

2012-01-01T23:59:59.000Z

184

UCSD Geothermal Chemical Modeling Project: DOE Advanced Brine Chemistry Program. [University of California at San Diego (UCSD)  

DOE Green Energy (OSTI)

DOE funding to the UCSD Chemical Modeling Group supports research to provide computer models which will reliably characterize the equilibrium chemistry of geothermal brines (solution, solid and gas phases) under variable thermodynamic conditions. With this technology, it will be possible to rapidly and inexpensively predict the chemical behavior of geothermal brines during various resource recovery stages; exploration, production, plant energy extraction and rejection as well as in ancillary programs such as mineral recovery. Our modeling technology is based on recent progress in the physical chemistry of concentrated aqueous solutions. The behavior of these fluids has not been predicted from first principle theories. However, because of the importance of concentrated brines to many industrial and natural processes, there have been numerous efforts to develop accurate phenomenological expressions for predicting the chemical behavior of these brines. One of the most successful of these efforts is that of Pitzer and coworkers. Incorporating the semiempirical equations of Pitzer, we have shown at UCSD that we can create highly accurate models of brine-solid-gas chemistry.

Moeller, N.; Weare, J.H.

1992-04-01T23:59:59.000Z

185

Econometric model of the U.S. sheep and mohair industries for policy analysis  

E-Print Network (OSTI)

The U.S. sheep industry has been declining in size for many years. Many factors have contributed to the decline of the sheep industry including declining consumption of lamb and mutton, the growth in manmade fiber use, scarcity of labor, and predator losses. In an effort to slow the rate of decline in the U.S. sheep industry, the U.S. Congress passed the Wool Act of 1954. In 1993, Congress passed a three-year phase out of the Wool Act incentive payments with the last payments occurring in 1996. The 2002 Farm Bill included a marketing loan program for wool. The loan rates are set to $0.40 per pound for un-graded wool, $1.00 per pound for graded wool. In recent years exchange rate changes have had a large impact on the industry affecting lamb and wool trade. The U.S. is the second largest producer of mohair and Texas accounts for over 85 percent of the U.S. mohair production. Mohair also received incentive payments through the Wool Act. Mohair payments were also phased out along with the wool incentive payments. Moreover, the 2002 Farm Bill reinstated support for the industry by implementing a loan program with loan rates of $4.20 per pound of mohair. This analysis uses capital stock inventory accounting methodology to model the supply side of the sheep industry. Demand is incorporated using traditional single equations and complete demand system estimation methods. OLS, 2SLS, and 3SLS models are developed and tested for the single equations estimation methods. The OLS model is used to model the impacts of three different levels of loan rates for wool. Also, an OLS mohair model is developed and used to examine the impacts of three different levels of loan rates for mohair. Results indicate that the sheep industry will continue to decline even with the marketing loan program for wool in the 2002 Farm Bill. However, a higher loan rate for wool would reduce the decline rate of the industry. The Angora goat industry will continue to decline in size, but with a higher loan rate for mohair, the number of goats clipped would increase.

Ribera Landivar, Luis Alejandro

2003-05-01T23:59:59.000Z

186

Optimization of Parameters of the Chemic Kinetic Model by Improved Genetic Algorithms  

Science Conference Proceedings (OSTI)

Detailed kinetic model is one of the most important basic research items that the chemic synthesis techniques will have been commercialized from laboratory. A great breakthrough has been made in the detailed mechanistic kinetics of the chemic synthesis, ... Keywords: Genetic Algorithm, kinetic model, parameter

Rui-feng Han; Yu-li Yang; Yong-kui Zhang

2009-01-01T23:59:59.000Z

187

Characterization and modeling of polysilicon MEMS chemical-mechanical polishing  

E-Print Network (OSTI)

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, ...

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

2004-01-01T23:59:59.000Z

188

Business information modeling for process integration in the mold making industry  

Science Conference Proceedings (OSTI)

Driven by industrial needs and enabled by the latest information technology, enterprise integration has rapidly shifted from information integration to process integration for performance excellence in the entire business process. This paper reports ... Keywords: Business object modeling, Enterprise integration, Process integration

Qianfu Ni; Wen Feng Lu; Prasad K. D. V. Yarlagadda; Xinguo Ming

2007-04-01T23:59:59.000Z

189

Steam System Opportunity Assessment for the Pulp and Paper, Chemical Manufacturing, and Petroleum Refining Industries: Main Report and Appendices (CD-ROM)  

SciTech Connect

The main report on this CD 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 performace and efficiency improvements. The Appendices on this CD provide supporting information for the analyses and provides and recommendations for assessing the effectiveness of the U.S. Department of Energy BestPractices Steam Program.

Not Available

2002-10-01T23:59:59.000Z

190

Quasiparticle Model of Quark-Gluon Plasma at Imaginary Chemical Potential  

E-Print Network (OSTI)

A quasiparticle model of the quark-gluon plasma is compared with lattice QCD data for purely imaginary chemical potential. Net quark number density, susceptibility as well as the deconfinement border line in the phase diagram of strongly interacting matter are investigated. In addition, the impact of baryo-chemical potential dependent quasiparticle masses is discussed. This accomplishes a direct test of the model for non-zero baryon density. The found results are compared with lattice QCD data for real chemical potential by means of analytic continuation and with a different (independent) set of lattice QCD data at zero chemical potential.

M. Bluhm; B. Kampfer

2007-11-05T23:59:59.000Z

191

Long-term Contracting in a Deregulated Electricity Industry: Simulation Results from a Hydro Management Model  

E-Print Network (OSTI)

The deregulation of electricity industry has introduced long-term contracting as a tool for hedging risk and strategy. A vital consideration for market participants is the relationship between behaviour in the spot market, and decisions taken in the contract market. We have developed a reservoir management model which integrates a Cournot spot market model into a Dual Dynamic Programming framework. Simulations using this model show that the market outcomes depend strongly upon the level of contracting undertaken by both competitors. We develop hypotheses for the dynamics involved, and present results from the simulation model reinforcing these. 1.

Stephen Batstone; Tristram Scott

1998-01-01T23:59:59.000Z

192

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

DOE Green Energy (OSTI)

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.

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

2011-01-01T23:59:59.000Z

193

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

SciTech Connect

This project was undertaken by Michigan Technological University and Special Metals Corporation to develop creep-resistant, coking-resistant oxide-dispersion-strengthened (ODS) tubes for use in industrial-scale ethylene pyrolysis and steam methane reforming operations. Ethylene pyrolysis tubes are exposed to some of the most severe service conditions for metallic materials found anywhere in the chemical process industries, including elevated temperatures, oxidizing atmospheres and high carbon potentials. During service, hard deposits of carbon (coke) build up on the inner wall of the tube, reducing heat transfer and restricting the flow of the hydrocarbon feedstocks. About every 20 to 60 days, the reactor must be taken off-line and decoked by burning out the accumulated carbon. This decoking costs on the order of $9 million per year per ethylene plant, accelerates tube degradation, and requires that tubes be replaced about every 5 years. The technology developed under this program seeks to reduce the energy and economic cost of coking by creating novel bimetallic tubes offering a combination of improved coking resistance, creep resistance and fabricability not available in current single-alloy tubes. The inner core of this tube consists of Incoloy(R) MA956, a commercial ferritic Fe-Cr-Al alloy offering a 50% reduction in coke buildup combined with improved carburization resistance. The outer sheath consists of a new material - oxide dispersion strengthened (ODS) Alloy 803(R) developed under the program. This new alloy retains the good fireside environmental resistance of Alloy 803, a commercial wrought alloy currently used for ethylene production, and provides an austenitic casing to alleviate the inherently-limited fabricability of the ferritic Incoloy(R) MA956 core. To provide mechanical compatibility between the two alloys and maximize creep resistance of the bimetallic tube, both the inner Incoloy(R) MA956 and the outer ODS Alloy 803 are oxide dispersion strengthened materials produced using mechanical alloying technology. To minimize cost, the bimetallic tube is produced by direct powder co-extrusion. This technology has potential for domestic energy savings of up to 4.1 trillion BTU/year (4.3 x 1015J/year) and a reduction of 370,000 tons (340,000 tonnes) of CO2 emissions in short-residence-time ethylene furnaces. This represents an energy savings and CO2 emissions reduction of about 3.3%. If the technology is also applied to other types of ethylene pyrolysis furnaces, total energy savings and CO2 emissions reductions could increase by up to five times. The work involved: Developing powder and consolidation processing protocols to produce an oxide-dispersion strengthened variant of Alloy 803 exhibiting creep strength comparable to Incoloy? Alloy MA956, Developing a direct powder co-extrusion protocol for fabricating co-extruded bimetallic Incoloy? Alloy MA956 / ODS Alloy 803 tubes, Characterizing the properties of the ODS Alloy 803 material, the welding characteristics of the bimetallic tubes, and the coking characteristics of the Incoloy? MA956 alloy, and Documenting the potential energy savings and user requirements for these bimetallic pyrolysis furnace tubes. The project demonstrated that oxide dispersion strengthened Alloy 803 can be produced successfully using conventional mechanical alloying technology. The oxide dispersion strengthened bimetallic radiant coil technology explored under this program has significant potential for energy savings and productivity improvements for domestic ethylene producers. In today's competitive market, however, domestic furnace manufacturers and ethylene producers appear reluctant to pay any cost premium for higher-performance coil materials offering either higher temperature capabilities or longer service life. Interest in oxide dispersion strengthened radiant coils is likely to increase if furnace and ethylene producers begin to focus more on increasing tube wall temperatures to improve productivity.

McKimpson, Marvin G.

2006-04-06T23:59:59.000Z

194

Modeling Exposure to Persistent Chemicals in Hazard and Risk Assessment  

E-Print Network (OSTI)

Research Council (NRC). 2007. Models in Environmentallimited or not available (NRC, 2007). The use of models hasthe late 19th century (NRC, 2007). In the area of transport

Cowan-Ellsberry, Christina E.

2010-01-01T23:59:59.000Z

195

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

DOE Green Energy (OSTI)

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.

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

2009-03-30T23:59:59.000Z

196

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

E-Print Network (OSTI)

of Hydrosystems Chemical and Thermal Non-Equilibrium: Kinetic Mass & Energy Transfer Motivation Modeling Non is actually driven by difference in chemical potential influence of thermal non-equilibrium on kinetic mass situation of clear non-equilibrium extending range of applicability Support of the German Research

Gorban, Alexander N.

197

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

E-Print Network (OSTI)

, momentum and total energy (kinetic plus internal chemical bond energy). Moreover the H theorem holds true is typical in Hydrogen combustion applications. #12;KINETIC MODEL With reference to Eq. (2), the microscopic reproduces the laws of chemical kinetics. #12;Conservation laws. Conservation of mass, momentum and total

Ceragioli, Francesca

198

Model of penetration of coal boilers and cogeneration in the paper industry  

SciTech Connect

A model has been developed to forecast the penetration of coal boilers and cogeneration of electricity in the paper industry. Given the demand for energy services (process steam and electricity) by the paper industry, the Penetration Model forecasts the demand for purchased fuel and electricity. The model splits the demand for energy service between energy carriers (coal, fuel oil/natural gas, bark, and spent liquor) on the basis of the installed capacity of 16 types of boilers (combinations of four types of energy carriers and four types of throttle conditions). Investment in new boilers is allocated by an empirical distribution function among the 16 types of boilers on the basis of life cycle cost. In the short run (5 years), the Penetration Model has a small price response. The model has a large price response in the long run (30 years). For constant fuel prices, the model forecasts a 19-percent share for coal and a 65-percent share for residual oil in the year 2000. If the real price of oil and gas doubles by the year 2000, the model forecasts a 68-percent share for coal and a 26-percent share for residual oil.

Reister, D.B.

1982-01-01T23:59:59.000Z

199

Analysis and reduction of chemical models under uncertainty.  

SciTech Connect

While models of combustion processes have been successful in developing engines with improved fuel economy, more costly simulations are required to accurately model pollution chemistry. These simulations will also involve significant parametric uncertainties. Computational singular perturbation (CSP) and polynomial chaos-uncertainty quantification (PC-UQ) can be used to mitigate the additional computational cost of modeling combustion with uncertain parameters. PC-UQ was used to interrogate and analyze the Davis-Skodje model, where the deterministic parameter in the model was replaced with an uncertain parameter. In addition, PC-UQ was combined with CSP to explore how model reduction could be combined with uncertainty quantification to understand how reduced models are affected by parametric uncertainty.

Oxberry, Geoff; Debusschere, Bert J.; Najm, Habib N.

2008-08-01T23:59:59.000Z

200

On modeling of chemical stimulation of an enhanced geothermal system using a high pH solution with chelating agent  

E-Print Network (OSTI)

and error method), assuming that the dissolution rate isdissolution model of calcite and silica minerals. The chemical stimulation method

Xu, T.

2009-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

User's Guide for RIVRISK Version 5.0: A Model to Assess Potential Human Health and Ecological Risks from Power Plant and Industrial Facility Releases to Rivers  

Science Conference Proceedings (OSTI)

This is a user's guide to EPRI's RIVRISK framework, Version 5.0, which can be used to assess human health and ecological risks associated with industrial and power plant chemical and thermal releases to rivers. The report also documents RIVRISK's theoretical foundation and graphical user interface. Industrial and government staff concerned with chemical and thermal releases will find this report useful.

2000-11-29T23:59:59.000Z

202

Aerosol Influence on Cloud Microphysics Examined by Satellite Measurements and Chemical Transport Modeling  

Science Conference Proceedings (OSTI)

Anthropogenic aerosols are hypothesized to decrease cloud drop radius and increase cloud droplet number concentration enhancing cloud optical depth and albedo. Here results have been used from a chemical transport model driven by the output of a ...

Harshvardhan; S. E. Schwartz; C. M. Benkovitz; G. Guo

2002-02-01T23:59:59.000Z

203

Inversion of long-lived trace gas emissions using combined Eulerian and Lagrangian chemical transport models  

E-Print Network (OSTI)

We present a method for estimating emissions of long-lived trace gases from a sparse global network of high-frequency observatories, using both a global Eulerian chemical transport model and Lagrangian particle dispersion ...

Manning, A. J.

204

Demonstration of spatially programmable chemical vapor deposition: Model-based uniformity/nonuniformity control  

E-Print Network (OSTI)

Demonstration of spatially programmable chemical vapor deposition: Model-based uniformity of deposition experiments to develop a model relating precursor concentration to film thickness in each segment region. As a demonstration of spatial programmability, the system was reprogramed using this model

Rubloff, Gary W.

205

A comparative study of non linear MISO process modelling techniques: application to a chemical reactor  

Science Conference Proceedings (OSTI)

This paper proposes the design and a comparative study of two non linear Multiple Input Single Output (MISO) models. The first, titled Volterra model, is built using Volterra series and the second, named RKHS model, uses the Statistical Learning Theory ... Keywords: RKHS, Volterra, chemical reactor, statistical learning theory

Okba Taouali; Nabiha Saidi; Hassani Messaoud

2009-05-01T23:59:59.000Z

206

Detailed chemical kinetic modeling of diesel combustion with oxygenated fuels  

DOE Green Energy (OSTI)

The influence of oxygenated hydrocarbons as additives to diesel fuels on ignition, NOx emissions and soot production has been examined using a detailed chemical kinetic reaction mechanism. N-heptane was used as a representative diesel fuel, and methanol, ethanol, dimethyl ether and dimethoxymethane were used as oxygenated fuel additives. It was found that addition of oxygenated hydrocarbons reduced NOx levels and reduced the production of soot precursors. When the overall oxygen content in the fuel reached approximately 25% by mass, production of soot precursors fell effectively to zero, in agreement with experimental studies. The kinetic factors responsible for these observations are discussed.

Pitz, W J; Curran, H J; Fisher, E; Glaude, P A; Marinov, N M; Westbrook, C K

1999-10-28T23:59:59.000Z

207

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

E-Print Network (OSTI)

Small to medium size industrial facilities often lack adequate resources to implement a sustainable energy management program. A strategy to overcome this constraint is to collaborate and develop partnerships between the company and other external resources. This paper describes a unique business-to-business partnership between Cook Composites and Polymers Co. (CCP) an industrial firm and Burns & McDonnell a large, multi-disciplined engineering firm that provides energy services. Over the last two years the firms have worked together towards a sustainable energy management program for CCP which incorporates the Plan-Do- Check-Act continual improvement cycle. They have collaborated on this work with government, industry and other partners and are now working towards certification under the American National Standards Institute (ANSI) Management System for Energy (MSE). ANSI/MSE 2000:2008 will be incorporated into CCP’s existing Integrated Management System which already includes components for Health, Safety, Environment and Quality. 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 footprint and their global competitiveness. This systematic and collaborative approach can serve as a model for other small to medium size industrial firms.

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

2009-05-01T23:59:59.000Z

208

Industrial fuel choice analysis model. Volume II. Appendices to model documentation  

SciTech Connect

Descriptions, documentation, and other information are included in these appendices dealing with industrial fuel choices: Energy Consumption Data Base; Major Fuel Burning Installation Survey; American Boiler Manufacturers Association Data File; Midrange Energy Forecasting System; Projection Method; Capacity Utilization Rates; Nonboiler Characteristics; Boiler Capital and O and M Cost Data; Nonboiler Capital and O and M Cost Data; Approach to Estimating Energy Impacts of the Coal Conversion Regulatory Program; Index or Acronyms.

1979-01-08T23:59:59.000Z

209

MATHEMATICAL MODELS OF THERMAL AND CHEMICAL TRANSPORT IN GEOLOGIC MEDIA  

E-Print Network (OSTI)

for Modeling Fluid and Heat Flow in Fractured Porous Media,Fluid Flow in a Single Fracture Because the topology of fractured media is different from that of porous media,

Lai, C.-H.

2010-01-01T23:59:59.000Z

210

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

E-Print Network (OSTI)

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 ...

Silva, James Emanuel

2012-01-01T23:59:59.000Z

211

Parameter identification for chemical models in combustion problems  

Science Conference Proceedings (OSTI)

We present an algorithm for parameter identification in combustion problems modeled by partial differential equations. The method includes local mesh refinement controlled by a posteriori error estimation with respect to the error in the parameters. ...

R. Becker; M. Braack; B. Vexler

2005-08-01T23:59:59.000Z

212

Addendum to the User's Guide for RIVRISK Version 5.0: A Model to Assess Potential Human Health and Ecological Risks from Power Plant and Industrial Facility Releases to Rivers  

Science Conference Proceedings (OSTI)

This is an addendum to the User's Guide for EPRI's RIVRISK analytic framework, Version 5.0. RIVRISK can be used to assess human health and ecological risks associated with industrial and power plant chemical and thermal releases to rivers. Some minor inconsistencies between the original User's Guide (EPRI Report 1000733) and the model examples were discovered during model applications. This addendum provides modified pages of the User's Guide that correct those inconsistencies. Those planning to use RIVR...

2001-05-04T23:59:59.000Z

213

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

Science Conference Proceedings (OSTI)

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.

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

1997-06-01T23:59:59.000Z

214

FIERAsystem: A Fire Risk Assessment Model for Light Industrial Building Fire Safety Evaluation  

E-Print Network (OSTI)

this report. The current report describes the framework for the new model, individual submodels used for calculations, and the information that the model provides to the design engineer or building official. The framework that FIERAsystem uses to conduct a hazard analysis and the process used to perform a risk analysis are also discussed in the report. 2. FRAMEWORK OF FIERAsystemMODEL The FIERAsystem model allows the user to perform a number of fire protection engineering calculations in order to evaluate fire protection systems in industrial buildings. At start-up, FIERAsystem provides several calculation options, which allow the user to: use standard engineering correlations, run individual submodels, conduct a hazard analysis, or conduct a risk analysis

N. Kashef; A. Torvi; G. Reid; Noureddine Benichou; Ahmed Kashef; David Torvi; George Hadjisophocleous; Irene Reid

2002-01-01T23:59:59.000Z

215

Detailed and global chemical kinetics model for hydrogen  

DOE Green Energy (OSTI)

Detailed and global chemical kinetic computations for hydrogen-air mixtures have been performed to describe flame propagation, flame structure and ignition phenomena. Simulations of laminar flame speeds, flame compositions and shock tube ignition delay times have been successfully performed. Sensitivity analysis was applied to determine the governing rate-controlling reactions for the experimental data sets examined. In the flame propagation and structure studies, the reactions, OH + H{sub 2} = H{sub 2}0 + H, 0 + H{sub 2} = OH + H and 0 + OH = 0{sub 2} + H were the most important in flames. The shock tube ignition delay time study indicated the H + 0{sub 2} + M = H0{sub 2} + M (M = N{sub 2}, H{sub 2}) and 0 + OH = 0{sub 2} + H reactions controlled ignition. A global rate expression for a one-step overall reaction was developed and validated against experimental hydrogen-air laminar flame speed data. The global reaction expression was determined to be 1.8 {times} 10{sup 13} exp({minus}17614K/T)[H{sub 2}]{sup 1.0}[O{sub 2}]{sup 0.5} for the single step reaction H{sub 2} + 1/2O{sub 2} = H{sub 2}O.

Marinov, N.M.; Westbrook, C.K.; Pitz, W.J.

1995-03-01T23:59:59.000Z

216

Modeling the Gas By-products of Metalorganic Chemical Vapor ...  

Science Conference Proceedings (OSTI)

The fiber then proceeds through an inert gas seal, inlet cross, hot-wall reactor, ... The effluent flows through a burn box (heated to greater than 500°C) before ... involve transport-kinetic modeling that describes the fluid flow, heat transfer, and  ...

217

NJL Model at Finite Chemical Potential in a Constant Magnetic Field  

E-Print Network (OSTI)

We investigate the influence of an external magnetic field on chiral symmetry breaking in the Nambu-Jona-Lasinio (NJL) model at finite temperature and chemical potential. According to the Fock-Schwinger proper-time method, we calculate the effective potential in the leading order of the $1/N_c$ expansion. The phase boundary dividing the symmetric phase and the broken phase is illustrated numerically. A complex behavior of the phase boundary is found for large chemical potential.

Tomohiro Inagaki; Daiji Kimura; Tsukasa Murata

2004-04-24T23:59:59.000Z

218

Modeling of thermodynamic and chemical changes in low-temperature geothermal systems  

DOE Green Energy (OSTI)

A method was developed to incorporate the transport of several chemical components into a model of the transport of fluid mass and heat within a geothermal system. It was demonstrated that the use of coupled hydrological, thermal and chemical data allows for the determination of field porosities, amounts and regions of cool recharge into the system as well as field permeabilities and the hot reservoir volume. With the additional information a reliable prediction of the long-term cooling rate can be made.

Spencer, A.L.

1986-12-01T23:59:59.000Z

219

ooSEM (poster session): a process model for object-oriented development in an industrial environment  

Science Conference Proceedings (OSTI)

Applying current object-oriented (OO) methods in an industrial environment is by itself not sufficient for a certification according to the norm EN ISO 9001, which requires the application of a comprehensive process model that includes, among other things, ...

Hermann Kaindl; Stefan Huber; Ömer Karacan; Ilir Kondo; Herwig Schreiner; Helge-Wernhard Süß

2000-01-01T23:59:59.000Z

220

Modeling of Plume Downwash and Enhanced Diffusion near Buildings: Comparison to Wind Tunnel Observations for in Arctic Industrial Site  

Science Conference Proceedings (OSTI)

The ability of a modified Industrial Source Complex model to simulate concentration distributions resulting from high wind speeds (neutral conditions) has been evaluated by comparison to data from a wind tunnel study of a Prudhoe Bay, AK oil-...

Alex Guenther; Brian Lamb; Ronald Petersen

1989-05-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

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

E-Print Network (OSTI)

Measuring process safety performance is a challenge, and the wide variations in understanding, compliance, and implementation of process safety programs increase the challenge. Process safety can be measured in three strata: (1) measurement 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 for measurement of process safety within facilities are deficient because the results are strongly dependent on user judgment. Performance benchmarking among facilities is done within closed groups of organizations. Neither the questionnaires nor the results are available to the public. Many organizations collect data on industrial incidents. These organizations differ from each other in their interests, data collection procedures, definitions, and scope, and each of them analyzes its data to achieve its objectives. However, there have been no attempts to explore the potential of integrating data sources and harnessing these databases for industrial safety performance assessment. In this study we developed models to pursue the measurement of samples of the strata described above. The measurement methodologies employed herein overcome the disadvantages of existing methodologies and increase their capabilities.

Keren, Nir

2003-12-01T23:59:59.000Z

222

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

E-Print Network (OSTI)

in the U.S. brewing industry. American Journal of Sociology,above with the organic industry professionals because theyThe institutional context of industry creation. Academy of

Haedicke, Michael Anthony

2008-01-01T23:59:59.000Z

223

Identification and application of partial chemical equilibria in reactor modeling  

SciTech Connect

In this paper, a method is presented for identifying a subset of species (from a set of reacting species) that are within a specified numerical tolerance of equilibrium, as implied by a given experimental composition. The method also determines a linearly independent set of reactions involving these species and the number of stoichiometric restrictions inherent in the set. This is an aid in reactor modeling, for example, in the computation of concentration profiles, in examining kinetic schemes or reaction mechanisms, and in identifying rate-controlling processes. An example involving the methanol-to-gasoline synthesis is given to illustrate the method.

Norval, G. (ICI Canada Inc., Sheridan Park Research Center, Mississauga, Ontario (Canada)); Phillips, M.J.; Missen, R.W. (Toronto Univ., ON (Canada). Dept. of Chemical Engineering and Applied Chemistry); Smith, W.R. (Guelph Univ., ON (Canada). Dept. of Mathematics and Statistics)

1992-08-01T23:59:59.000Z

224

Mathematical modeling of chemical oil-soluble transport for water control in porous media  

Science Conference Proceedings (OSTI)

High water-cut is a long-standing problem in the upstream petroleum industry. Typically one-fourth of the produced fluids from oil wells worldwide are hydrocarbons and the remaining is water. Self-selective in-situ gel formation is a new potential technology ... Keywords: Gelation, Numerical modeling, Porous media, Tetra-methyl-ortho-silicate or tetramethoxysilane (TMOS), Water cut

H. Valiollahi; Z. Ziabakhsh; P. L. J. Zitha

2012-08-01T23:59:59.000Z

225

Increasing the chemical content of turbulent flame models through the use of parallel computing  

DOE Green Energy (OSTI)

This report outlines the effort to model a time-dependent, 2- dimensional, turbulent, nonpremixed flame with full chemistry with the aid of parallel computing tools. In this study, the mixing process and the chemical reactions occurring in the flow field are described in terms of the single-point probability density function (PDF), while the turbulent viscosity is determined by the standard kappa-epsilon model. The initial problem solved is a H[sub 2]/Air flame whose chemistry is described by 28 elementary reactions involving 9 chemical species.

Yam, C.G.; Armstrong, R.; Koszykowski, M.L. [Sandia National Labs., Livermore, CA (United States); Chen, J.Y. [California Univ., Berkeley, CA (United States); Bui-Pham, M.N. [Lawrence Berkeley National Lab., CA (United States)

1996-10-01T23:59:59.000Z

226

Statistical modeling of spontaneous combustion in industrial-scale coal stockpiles  

SciTech Connect

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.

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

2009-07-01T23:59:59.000Z

227

Estimation and reduction of the uncertainties in chemical models: Application to hot core chemistry  

E-Print Network (OSTI)

It is not common to consider the role of uncertainties in the rate coefficients used in interstellar gas-phase chemical models. In this paper, we report a new method to determine both the uncertainties in calculated molecular abundances and their sensitivities to underlying uncertainties in the kinetic data utilized. The method is used in hot core models to determine if previous analyses of the age and the applicable cosmic-ray ionization rate are valid. We conclude that for young hot cores ($\\le 10^4$ yr), the modeling uncertainties related to rate coefficients are reasonable so that comparisons with observations make sense. On the contrary, the modeling of older hot cores is characterized by strong uncertainties for some of the important species. In both cases, it is crucial to take into account these uncertainties to draw conclusions from the comparison of observations with chemical models.

Wakelam, V; Herbst, E; Caselli, P; Wakelam, Valentine; Selsis, Franck; Herbst, Eric; Caselli, Paola

2005-01-01T23:59:59.000Z

228

Estimation and reduction of the uncertainties in chemical models: Application to hot core chemistry  

E-Print Network (OSTI)

It is not common to consider the role of uncertainties in the rate coefficients used in interstellar gas-phase chemical models. In this paper, we report a new method to determine both the uncertainties in calculated molecular abundances and their sensitivities to underlying uncertainties in the kinetic data utilized. The method is used in hot core models to determine if previous analyses of the age and the applicable cosmic-ray ionization rate are valid. We conclude that for young hot cores ($\\le 10^4$ yr), the modeling uncertainties related to rate coefficients are reasonable so that comparisons with observations make sense. On the contrary, the modeling of older hot cores is characterized by strong uncertainties for some of the important species. In both cases, it is crucial to take into account these uncertainties to draw conclusions from the comparison of observations with chemical models.

Valentine Wakelam; Franck Selsis; Eric Herbst; Paola Caselli

2005-09-07T23:59:59.000Z

229

Concentrations, profiles, and estimated human exposures for polychlorinated dibenzo-p-dioxins and dibenzofurans from electronic waste recycling facilities and a chemical industrial complex in Eastern China  

SciTech Connect

Electronic shredder waste and dust from e-waste facilities, and leaves and surface soil collected in the vicinity of a large scale e-waste recycling facility in Taizhou, Eastern China, were analyzed for total dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) including 2,3,7,8-substituted congeners. We also determined PCDD/Fs in surface agricultural soils from several provinces in China for comparison with soils from e-waste facilities. Concentrations of total PCDD/Fs were high in all of the matrices analyzed and ranged from 30.9 to 11,400 pg/g for shredder waste, 3460 to 9820 pg/g dry weight for leaves, 2560 to 148,000 pg/g dry weight for workshop-floor dust, and 854 to 10200 pg/g dry weight for soils. We also analyzed surface soils from a chemical industrial complex (a coke-oven plant, a coal-fired power plant, and a chlor-alkali plant) in Shanghai. Concentrations of total PCDD/Fs in surface soil from the chemical industrial complex were lower than the concentrations found in soils from e-waste recycling plants, but higher than the concentrations found in agricultural soils. Agricultural soils from six cities in China contained low levels of total PCDD/Fs. Profiles of dioxin toxic equivalents (TEQs) of 2,3,7,8-PCDD/Fs in soils from e-waste facilities in Taizhou differed from the profiles found in agricultural soils. The estimated daily intakes of TEQs of PCDD/Fs via soil/dust ingestion and dermal exposure were 2 orders of magnitude higher in people at e-waste recycling facilities than in people at the chemical industrial site, implying greater health risk for humans from dioxin exposures at e-waste recycling facilities. The calculated TEQ exposures for e-waste workers from dust and soil ingestion alone were 2-3 orders of magnitude greater than the exposures from soils in reference locations. 37 refs., 1 fig., 2 tabs.

Ma, J.; Kannan, K.; Cheng, J.; Horii, Y.; Wu, Q.; Wang, W. [Shanghai Jiao Tong University, Shanghai (China). School of Environmental Science and Engineering

2008-11-15T23:59:59.000Z

230

Energy and centrality dependence of chemical freeze-out parameters from models  

E-Print Network (OSTI)

One of the main goals of heavy-ion collision experiments is to study the structure of the QCD phase diagram. The QCD phase diagram is typically plotted as temperature ($T$) vs. baryon chemical potential ($\\mu_{B}$). The statistical thermal model THERMUS compared to experimental data provides chemical freeze-out parameters such as temperature, baryon chemical potential and strangeness saturation factor ($\\gamma_{s}$). However, the values of these parameters depend on models and their underlying assumptions, such as the nature of the ensemble used, particle ratios vs. particle yields, and the treatment of feed-down contributions to particle yields. In these proceedings, we report on a systematic study of chemical freeze-out parameters using THERMUS, as a function of collision centrality and collision energies ($\\sqrt{s_{NN}} =7.7-200$ GeV). These studies are performed with the string melting version of A Multi-Phase Transport (AMPT) model. A comparison is presented of freeze-out parameters between grand-canonical vs. strangeness canonical ensembles, particle yields vs. ratios, with and without feed-down contributions to the particle yields. The main aim is to evaluate the sensitivity of the thermal model fits to various model assumptions. This is an important study for understanding corresponding experimental results from the beam energy scan program at RHIC.

Lokesh Kumar

2013-08-14T23:59:59.000Z

231

Statistical analysis of what drives industrial energy demand: Volume III of the PURHAPS model documentation  

Science Conference Proceedings (OSTI)

The overall price of energy has far less direct effect on industrial demand than conventional models, such as the Jorgenson translog model, have indicated. Much of what appears to be conservation in recent years can be explained as the result of structural changes (e.g., less steel production), electrification, and a slowdown in the long-term trend towards more use of energy relative to other factors of production. This report documents these findings and the other findings from the statistical analysis used in developing the PURchased Heat And Power System, as used in producing the 1982 Annual Energy Outlook forecasts. This report is intended partly to convey these findings to substantive energy experts and energy policy analysts; it is also intended to fulfill EIA requirements for model documentation. Volume I of this series documents the full mathematical specification of the model, including accounting identites and benchmarks; Volume II documents the data used both in the estimation and in the model. Appendix B of this report provides a purely historical breakdown of actual changes in oil and electricity use from 1974 to 1981, showing what changes are due to general economic growth, improved general productivity, etc. preliminary work for the 1983 Annual Energy Outlook is discussed in general terms.

Werbos, P.J.

1983-12-01T23:59:59.000Z

232

Minimal Curvature Trajectories: Riemannian Geometry Concepts for Model Reduction in Chemical Kinetics  

E-Print Network (OSTI)

In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale separation into fast and slow modes. The aim is to approximate the system dynamics with a dimension-reduced model after eliminating the fast modes by enslaving them to the slow ones via computation of a slow attracting manifold. We present a novel method for computing approximations of such manifolds using trajectory-based optimization. We discuss Riemannian geometry concepts as a basis for suitable optimization criteria characterizing trajectories near slow attracting manifolds and thus provide insight into fundamental geometric properties of multiple time scale chemical kinetics. The optimization criteria correspond to a suitable mathematical formulation of "minimal relaxation" of chemical forces along reaction trajectories under given constraints. We present various geometri...

Lebiedz, Dirk; Siehr, Jochen

2009-01-01T23:59:59.000Z

233

Engineering and economic feasibility of utilizing geothermal heat from the Heber reservoir for industrial processing purposes at Valley Nitrogen Producers Inc. , El Centro agricultural chemical plant. Final report  

DOE Green Energy (OSTI)

The engineering and economic feasibility of utilizing geothermal heat from the Heber KGRA for industrial processing purposes at the Valley Nitrogen Producers, Inc. El Centro, California agricultural chemical plant was investigated. The analysis proceeds through the preliminary economics to determine the restraints imposed by geothermal modification size on internal rates of return, and through the energy utilization evaluation to determine the best method for substituting geothermal energy for existing fossil fuel energy. Finally, several geothermal utilization schemes were analyzed for detailed cost-benefit evaluation. An economically viable plan for implementing geothermal energy in the VNP Plant was identified and the final conclusions and recommendations were made based on these detailed cost-benefit analyses. Costs associated with geothermal energy production and implementation were formulated utilizing a modified Battelle Pacific Northwest Laboratories' ''GEOCOST'' program.

Sherwood, P.B.; Newman, K.L.

1977-09-01T23:59:59.000Z

234

PNJL model analysis of the Roberge-Weiss transition endpoint at imaginary chemical potential  

E-Print Network (OSTI)

Motivated by lattice QCD studies we investigate the RW transition endpoint at imaginary chemical potential in a two-flavor PNJL model. We focus on the quark-mass dependence of the endpoint using different forms of the Polyakov-loop potential.

Scheffler, David; Wambach, Jochen

2011-01-01T23:59:59.000Z

235

Demand Management Demonstration Project, Stage 5: development of industrial load simulation model. Executive summary. Final report  

SciTech Connect

The purpose of this project was to design, develop, test and document a computer simulation model of electric utility generating costs required to meet industrial power demands and the effects of utility load management on these generating costs. The results showed that the model developed is a well conceived load management testing, marginal costing tool. What if situations can be readily tested to determine their impact on system profile and short run marginal costs. The terms unshaped and shaped refer to customers or system use patterns before and after some load management technique was tested. The total flexibility of the model is only apparent after the user has studied test runs in detail. Hourly marginal costs reveal many unexpected changes as a result of shaping loads. Other unexpected changes due to varying economic dispatch schedules while shaping, illustrate the unprecedental latitude for the user to explore optimum generation and load management combinations. The general concept of the model is depicted in the flow chart on the next page.

1977-04-01T23:59:59.000Z

236

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

E-Print Network (OSTI)

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 cost without concomitant energy bill savings. This tends to significantly overstate the cost of new energy policies. Yes, the range of technologies available to satisfy end-use service demands does require (admittedly) a significant level of capital. But more often than not, there is a return on that investment; and that return on investment is typically overlooked in many of the standard economic policy models. This paper describes the differences between many of the conventional energy models now used for energy policy assessments compared to those which more properly reflect a trade-off between new capital investment and end-use energy savings – as both capital and energy are used to satisfy a specific industrial service demand. The paper builds on a discussion provided by Neal Elliott for approximating service demands within food products manufacturing (NAICS 311). It then shows how the proper treatment of investment flows may provide a different outcome for policy assessments than might be provided by the standard policy models.

Laitner, J. A.

2007-01-01T23:59:59.000Z

237

Industrial Combustion Emissions (ICE) model, Version 6. 0. User's manual. Report for November 1984-August 1987  

SciTech Connect

This report is a user's manual for the Industrial Combustion Emissions (ICE) model. It summarizes user options and software characteristics, and describes both the input data files and procedures for operating the model. It discusses proper formatting of files and creation of job-control language. The model projects for each state the emissions of sulfur oxides, sulfates, and nitrogen oxides from fossil-fuel combustion in industrial boilers. Emissions and costs of boiler generation, including emission-control costs, are projected for the years 1985, 1990, 1995, 2000, 2010, 2020, and 2030.

Hogan, T.

1988-02-01T23:59:59.000Z

238

Energy savings by means of fuel cell electrodes in electro-chemical industries. Progress report, August 1-October 31, 1978  

DOE Green Energy (OSTI)

Caustic half cells are described and data reported for tests run to evaluate the technology involved in the operation of air cathodes for the Caustic-Chlorine Industry. The majority of tests were run at 300 ASF in a 23% NaOH electrolyte at 75/sup 0/C with a CO/sub 2/ free air efficiency of 33%. Data are presented for a 7200-h life test which is in operation and represents the state of the art. Runs have been made to identify the limiting current density and air efficiency for the standard RA19 type air cathode. Also presented are tests involving cell temperature, electrode platinum variation and evaluation of several thin, porous, conducting substrates on which the catalyst layer is deposited during electrode fabrication. Technical data on advisory meetings and experimental cell design for hydrogen anode evaluation in the electrowinning of zinc were reported. Preliminary results demonstrate a savings of over 0.6 kWh/lb of zinc for 3 to 4 hours runs employing pure hydrogen as fuel and a 0.33 mg/cm/sup 2/ Pt anode. In the area of metal-water-air batteries a consultatory meeting was held, and the initial data obtained at Lawrence Livermore Laboratory for a standard Prototech Company air cathode in an Aluminum-Air Battery were reported to be most encouraging.

Allen, R.J.; Juda, W.; Lindstrom, R.W.

1978-12-01T23:59:59.000Z

239

Methodology for modeling the migration of EOR chemicals in fresh water aquifers  

SciTech Connect

The objective of this study is to develop a method for modeling the transport of EOR chemicals accidentally released to fresh water aquifers. Six examples involving hypothetical releases of EOR chemicals at surrogate aquifer sites are used to illustrate the application of this method. Typical injection rates and concentrations of EOR chemicals used at current or proposed projects were obtained from the literature and used as the basis for the hypothetical accidents. Four surrogate aquifer sites were selected from States where chemical flooding methods are employed. Each site is based on real hydrological data but presented in such a way to avoid identification with existing EOR fields. A significant amount of data is required to model ground water systems. The hypothetical examples help to indicate the type of data needed. The computer results illustrate that high levels of contamination are possible for many years. In addition, due to these high levels of contamination, it is possible for contaminants to migrate offsite of the EOR field. There are a variety of pathways through which EOR chemicals could be accidentally released to fresh water aquifers during normal EOR operations. There is insufficient EOR experience to date, however, to forecast risks accurately. 119 references, 10 figures, 9 tables.

Royce, B.; Garrell, M.; Kahn, A.; Kaplan, E.

1983-11-01T23:59:59.000Z

240

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

E-Print Network (OSTI)

for setting behavioural parameters in a hybrid energy-economy model revealed that an information campaign market share by 6-8% over business as usual. An empirical uncertainty analysis conducted on these #12;ivBEHAVIOURAL REALISM IN A TECHNOLOGY EXPLICIT ENERGY-ECONOMY MODEL: THE ADOPTION OF INDUSTRIAL

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
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241

Will Model-based Definition replace engineering drawings throughout the product lifecycle? A global perspective from aerospace industry  

Science Conference Proceedings (OSTI)

The Model-based Definition (MBD) approach is gaining popularity in various industries. MBD represents a trend in Computer-aided Design (CAD) that promises reduced time-to-market and improved product quality. Its main goal is to improve and accelerate ... Keywords: CAD, Engineering drawing, MBD, Model-based Definition, Product lifecycle

Virgilio Quintana; Louis Rivest; Robert Pellerin; Frédérick Venne; Fawzi Kheddouci

2010-06-01T23:59:59.000Z

242

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

243

Estimating a Model of Strategic Network Choice: The Convenience-Store Industry in Okinawa  

E-Print Network (OSTI)

This paper examines the impacts of the merger of two multi-store …rms, using new crosssectional data from the convenience-store industry in Okinawa, Japan. I propose a general methodology for estimating a game of network choice by two multi-store …rms. I use latticetheoretical results to deal with the huge number of possible network choices. I integrate the entry model with post-entry outcome data, while correcting for the selection of entrants by simulations. Parameter estimates …nd the acquirer of a hypothetical merger of two chains would increase its number of stores in the city center in Okinawa but would decrease its number in suburbs. The trade-o ¤ of cost savings and lost revenues from clustering its own stores plays a central role in explaining this seemingly odd result. I also examine the impacts of eliminating the zoning regulation introduced in 1968, which has been a major urban policy issue.

Mitsukuni Nishida Y

2009-01-01T23:59:59.000Z

244

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

E-Print Network (OSTI)

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 by installed condenser surface area and the steam space characteristics. Since the steam rate and shaft power costs are dependent on the available enthalpy drop across the machine, the steam must condense at the lowest practical thermal state. Thus, air presence and cooling rate must be controlled. The condensing turbine is not an isolated system. It directly affects the use of boiler fuel and the purchase of power. Its condensate requires reheating to feedwater temperature: steam is used, backpressure power is made, for example. Its performance affects the entire steam system and must be monitored persistently. Because of the complexities (and advantages) of systems analyses, computer modeling is demonstrated in this paper to fully evaluated the network effects and the financial impact of good condenser vacuum.

Viar, W. L.

1984-01-01T23:59:59.000Z

245

Acid-base chemical reaction model for nucleation rates in the polluted  

NLE Websites -- All DOE Office Websites (Extended Search)

Acid-base chemical reaction model for nucleation rates in the polluted Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer Title Acid-base chemical reaction model for nucleation rates in the polluted atmospheric boundary layer Publication Type Conference Paper Year of Publication 2013 Authors Chen, Modi, Mari Titcombe, Jingkun Jiang, Coty Jen, Chongai Kuang, Marc L. Fischer, Fred L. Eisele, Ilja J. Siepmann, David R. Hanson, Jun Zhao, and Peter H. McMurry Conference Name Nucleation and Atmospheric Aerosols: 19th International Conference Publisher AIP Publishing LLC Conference Location Fort Collins, CO Abstract Measurements of aerosol number distributions down to one molecule have provided information that we've used to develop a new approach for modeling atmospheric nucleation rates. Measurements were carried out with the Cluster Chemical Ionization Mass Spectrometer (Cluster CIMS), the scanning mobility spectrometer using a diethylene glycol condensation particle counter as detector (DEG SMPS), and an ambient pressure proton transfer mass spectrometer for ammonia and amines (AmPMS). The model explains nucleation as a result of cluster evolution due to a sequence of acid-base reactions. We conclude that the smallest stable cluster contains four sulfuric acid molecules. The model leads to a simple analytic expression for nucleation rates that is reasonably consistent (i.e., ± 10x) with atmospheric observations. The model predicts that nucleation rates are equal to a prefactor, P<1, times the sulfuric acid vapor collision rate, (i.e., J=P⋅0.5⋅k11 ∗[H2SO4]2).

246

Simulating Aerosols Using a Chemical Transport Model with Assimilation of Satellite Aerosol Retrievals: Methodology for INDOEX  

E-Print Network (OSTI)

A system for simulating aerosols has been developed using a chemical transport model together with an assimilation of satellite aerosol retrievals. The methodology and model components are described in this paper, and the modeled distribution of aerosols for the Indian Ocean Experiment (INDOEX) is presented by Rasch et al. [this issue]. The system generated aerosol forecasts to guide deployment of ships and aircraft during INDOEX. The system consists of the Model of Atmospheric Transport and Chemistry (MATCH) combined with an assimilation package developed for applications in atmospheric chemistry. MATCH predicts the evolution of sulfate, carbonaceous, and mineral dust aerosols, and it diagnoses the distribution of sea salt aerosols. The model includes a detailed treatment of the sources, chemical transformation, transport, and deposition of the aerosol species. The aerosol forecasts involve a two-stage process. During the assimilation phase the total column aerosol optical depth (AOD) is estimated from the model aerosol fields. The model state is then adjusted to improve the agreement between the simulated AOD and satellite retrievals of AOD. During the subsequent integration phase the aerosol fields are evolved using meteorological fields from an external model. Comparison of the modeled AOD against estimates of the AOD from INDOEX Sun photometer data show that the differences in daily means are #0.03 # 0.06. Although the initial application is limited to the Indian Ocean, the methodology could be extended to derive global aerosol analyses combining in situ and remotely sensed aerosol observations.

William D. Collins; Phillip J. Rasch; Brian E. Eaton; Boris V. Khattatov; Jean-francois Lamarque; C. Zender

2001-01-01T23:59:59.000Z

247

Business Case for Fast Charging of Industrial Lift Truck Fleets: Life Cycle Cost Model  

Science Conference Proceedings (OSTI)

In industrial settings, up to three battery packs are required per electric industrial lift truck: one in use, another being charged, and a third being cooled. Many industry experts see this as a financial barrier in selling electric over internal combustion (IC) industrial lift trucks. EPRI sponsored this study to provide a thorough evaluation of the economics in support of a business case for fast charging lift truck fleets.

2000-09-18T23:59:59.000Z

248

Modeling deuterium fractionation in cold and warm molecular environments with large chemical networks  

E-Print Network (OSTI)

Observations of deuterated species have long proven essential to probe properties and thermal history of various astrophysical environments. We present an elaborated chemical model that includes tens of thousands of reactions with multi-deuterated species, both gas-phase and surface, in which the most recent information on deuterium chemistry is implemented. A detailed study of the chemical evolution under wide range of temperatures and densities typical of cold molecular cores, warm protostellar envelopes, and hot cores/corinos is performed. We consider two cases of initial abundances, with 1) mainly atomic composition and all deuterium locked in HD, and 2) molecular abundances accumulated at 1 Myr of the evolution of a cold prestellar core. We indicate deuterated species that are particularly sensitive to temperature gradients and initial chemical composition. Many multiply-deuterated species produced at 10 K by exothermic ion-molecule chemistry retain large abundances even when temperature rises above 100 ...

Albertsson, T; Henning, Th

2013-01-01T23:59:59.000Z

249

Quark-mass dependence of the three-flavor QCD phase diagram at zero and imaginary chemical potential: Model prediction  

Science Conference Proceedings (OSTI)

We draw the three-flavor phase diagram as a function of light- and strange-quark masses for both zero and imaginary quark-number chemical potential, using the Polyakov-loop extended Nambu-Jona-Lasinio model with an effective four-quark vertex depending on the Polyakov loop. The model prediction is qualitatively consistent with 2+1 flavor lattice QCD prediction at zero chemical potential and with degenerate three-flavor lattice QCD prediction at imaginary chemical potential.

Sasaki, Takahiro; Sakai, Yuji; Yahiro, Masanobu [Department of Physics, Graduate School of Sciences, Kyushu University, Fukuoka 812-8581 (Japan); Kouno, Hiroaki [Department of Physics, Saga University, Saga 840-8502 (Japan)

2011-11-01T23:59:59.000Z

250

Technological prospects and CO2 emission trading analyses in the iron and steel industry: A global model Energy  

E-Print Network (OSTI)

This article presents the Iron and Steel Industry Model (ISIM). This is a world simulation model able to analyze the evolution of the industry from 1997 to 2030, focusing on steel production, demand, trade, energy consumption, CO2 emissions, technology dynamics, and retrofitting options. In the context of the Kyoto Protocol on climate change, the potential impacts of a CO2 emission market (e.g. the gains in terms of compliance costs, the country trading position, the evolution of the technology and the energy mixes) are also addressed. In particular, three emission trading scenarios are considered: an EU15 market, an enlarged EU market, and an Annex B market.

Ignacio Hidalgo; Laszlo Szabo; Juan Carlos Ciscar; Antonio Soria

2005-01-01T23:59:59.000Z

251

Simulations of greenhouse trace gases using the Los Alamos chemical tracer model  

SciTech Connect

Through three-dimensional global model studies on atmospheric composition and transport, we are improving our quantitative understanding of the origins and behavior of trace gases that affect Earth's radiative energy balance and climate. We will focus, in this paper, on the simulations of three individual trace gases including CFC-11, methyl chloroform, and methane. We first used our chemical tracer model to study the global distribution and trend of chemically inert CFC-11 observed by the Atmospheric Lifetime Experiment. The results show that the model has the ability to reproduce the time-series of the observations. The purpose of this CFC-11 simulation was to test the transport of the model. We then used to model introduce methyl chloroform into the atmosphere according to the known emission patterns and iteratively varied OH fields so that the observed concentrations of methyl chloroform from the observations could be simulated well. The rationale behind this approach is that the reaction with OH is the dominant sink for metyl chloroform and the transport of the model has been tested in the previous CFC-11 study. Finally, using the inferred OH distributions, we conducted a steady-state simulation to reproduce the current methane distribution. The general agreement between the modeled an observed methane surface concentrations has laid a foundation for the simulation of the transient increase of methane.

Kao, C.Y.J.; Morz, E. (Los Alamos National Lab., NM (United States)); Tie, X. (Scripps Institution of Oceanography, San Diego, CA (United States))

1991-11-01T23:59:59.000Z

252

Simulations of greenhouse trace gases using the Los Alamos chemical tracer model  

SciTech Connect

Through three-dimensional global model studies on atmospheric composition and transport, we are improving our quantitative understanding of the origins and behavior of trace gases that affect Earth`s radiative energy balance and climate. We will focus, in this paper, on the simulations of three individual trace gases including CFC-11, methyl chloroform, and methane. We first used our chemical tracer model to study the global distribution and trend of chemically inert CFC-11 observed by the Atmospheric Lifetime Experiment. The results show that the model has the ability to reproduce the time-series of the observations. The purpose of this CFC-11 simulation was to test the transport of the model. We then used to model introduce methyl chloroform into the atmosphere according to the known emission patterns and iteratively varied OH fields so that the observed concentrations of methyl chloroform from the observations could be simulated well. The rationale behind this approach is that the reaction with OH is the dominant sink for metyl chloroform and the transport of the model has been tested in the previous CFC-11 study. Finally, using the inferred OH distributions, we conducted a steady-state simulation to reproduce the current methane distribution. The general agreement between the modeled an observed methane surface concentrations has laid a foundation for the simulation of the transient increase of methane.

Kao, C.Y.J.; Morz, E. [Los Alamos National Lab., NM (United States); Tie, X. [Scripps Institution of Oceanography, San Diego, CA (United States)

1991-11-01T23:59:59.000Z

253

Empirical MOdels for the Uptake of Inorganic Chemicals from Soil by Plants (BJC/OR-133)  

NLE Websites -- All DOE Office Websites (Extended Search)

33 33 Empirical Models for the Uptake of Inorganic Chemicals from Soil by Plants This document has received the appropriate reviews for release to the public. Date: 9/23/98 BJC/OR-133 Empirical Models for the Uptake of Inorganic Chemicals from Soil by Plants Date Issued-September 1998 Prepared for the U.S. Department of Energy Office of Environmental Management BECHTEL JACOBS COMPANY LLC managing the Environmental Management Activities at the East Tennessee Technology Park Oak Ridge Y-12 Plant Oak Ridge National Laboratory Paducah Gaseous Diffusion Plant Portsmouth Gaseous Diffusion Plant under contract DE-AC05-98OR22700 for the U.S. DEPARTMENT OF ENERGY iii CONTENTS FIGURES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . v TABLES . . . . . . . . . . . . . . . . . .

254

Models of Chemical Structure and Dynamics via Nuclear Magnetic Resonance and Ab Initio Computational Chemistry  

E-Print Network (OSTI)

Resolution NMR Theory and Chemical Application ; 3rd ed. ,Methods. In Encyclopedia of Chemical Physics and PhysicalGROUPS ON THE PHYSICAL AND CHEMICAL BEHAVIOR OF CINCHONA

Lai, Jinfeng

2009-01-01T23:59:59.000Z

255

Systems Modeling, Simulation and Material Operating Requirements for Chemical Hydride Based Hydrogen Storage  

Science Conference Proceedings (OSTI)

Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to 19.6% by weight for the release of {approx}2.5 molar equivalents of hydrogen gas) and its stability under typical ambient conditions. A new systems concept based on augers, ballast tank, hydrogen heat exchanger and H2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H2 on the augers itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as C language S-functions and implemented in Matlab/Simulink environment. The control variable AB (or alane) flow rate was determined through a simple expression based on the ballast tank pressure, H2 demand from the fuel cell and hydrogen production from AB (or alane) in the reactor. System simulation results for solid AB, liquid AB and alane for both steady state and transient drive cycle cases indicate the usefulness of the model for further analysis and prototype development.

Devarakonda, Maruthi N.; Brooks, Kriston P.; Ronnebro, Ewa; Rassat, Scot D.

2012-02-01T23:59:59.000Z

256

A Numerical Model for Chemical and Meteorological Processes in the Atmospheric Boundary Layer. Part I: A Model Description and a One-Dimensional Parameter Study  

Science Conference Proceedings (OSTI)

A numerical flow model is presented for the atmospheric boundary layer, including dispersion and chemical transformations of air pollutants. The model is a three-dimensional time-dependent one for the mesoscale based on the conservation equations ...

Gunilla Svensson

1996-06-01T23:59:59.000Z

257

Pricing Effect of Restaurant Industry Related Factors on Fama French Three Factor Model.  

E-Print Network (OSTI)

??The purpose of this study was to investigate the effect of the addition of restaurant industry-related factors on the accuracy and explanatory power of the… (more)

Denizci, Basak

2006-01-01T23:59:59.000Z

258

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

E-Print Network (OSTI)

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.

L. Lerman; V. Rom-Kedar

2011-11-08T23:59:59.000Z

259

Adapting and adjusting test process reflecting characteristics of embedded software and industrial properties based on referential models  

Science Conference Proceedings (OSTI)

Test activities are very important for the product quality. Testability Maturity Model (TMM) and Test Process Improvement (TPI) are often applied to improve the test activities. However, in the domain of embedded software, there are many different concerns ... Keywords: TMM, TPI, adapting, embedded, industrial, process, test

Chongwon Lee

2009-11-01T23:59:59.000Z

260

Research utilization in the building industry: decision model and preliminary assessment  

Science Conference Proceedings (OSTI)

The Research Utilization Program was conceived as a far-reaching means for managing the interactions of the private sector and the federal research sector as they deal with energy conservation in buildings. The program emphasizes a private-public partnership in planning a research agenda and in applying the results of ongoing and completed research. The results of this task support the hypothesis that the transfer of R and D results to the buildings industry can be accomplished more efficiently and quickly by a systematic approach to technology transfer. This systematic approach involves targeting decision makers, assessing research and information needs, properly formating information, and then transmitting the information through trusted channels. The purpose of this report is to introduce elements of a market-oriented knowledge base, which would be useful to the Building Systems Division, the Office of Buildings and Community Systems and their associated laboratories in managing a private-public research partnership on a rational systematic basis. This report presents conceptual models and data bases that can be used in formulating a technology transfer strategy and in planning technology transfer programs.

Watts, R.L.; Johnson, D.R.; Smith, S.A.; Westergard, E.J.

1985-10-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Minimal Curvature Trajectories: Riemannian Geometry Concepts for Model Reduction in Chemical Kinetics  

E-Print Network (OSTI)

In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale separation into fast and slow modes. The aim is to approximate the system dynamics with a dimension-reduced model after eliminating the fast modes by enslaving them to the slow ones via computation of a slow attracting manifold. We present a novel method for computing approximations of such manifolds using trajectory-based optimization. We discuss Riemannian geometry concepts as a basis for suitable optimization criteria characterizing trajectories near slow attracting manifolds and thus provide insight into fundamental geometric properties of multiple time scale chemical kinetics. The optimization criteria correspond to a suitable mathematical formulation of "minimal relaxation" of chemical forces along reaction trajectories under given constraints. We present various geometrically motivated criteria and the results of their application to three test case reaction mechanisms serving as examples. We demonstrate that accurate numerical approximations of slow invariant manifolds can be obtained.

Dirk Lebiedz; Volkmar Reinhardt; Jochen Siehr

2009-10-19T23:59:59.000Z

262

Integration of the SAPRC Chemical Mechanism in the SMOKE Emissions Processor for the CMAQ/Models- 3 Airshed Model  

E-Print Network (OSTI)

Industrial Processes; Primary Metal Production; By-product Coke Manufacturing; OvenIndustrial Processes; Primary Metal Production; By-product Coke Manufacturing; Oven

Adelman, Z; Vukovich, J; Carter, W P L

2005-01-01T23:59:59.000Z

263

PNNL: Available Technologies: Chemicals Industry  

Non-Contact Sensor for Measuring the Density and Speed of Sound of a Liquid Contained in a Pipeline or Vessel; Non-invasive Ultrasonic Fluid ...

264

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

SciTech Connect

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

Garrod, Robin T., E-mail: rgarrod@astro.cornell.edu [Center for Radiophysics and Space Research, Cornell University, Ithaca, NY 14853-6801 (United States)

2013-03-01T23:59:59.000Z

265

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

SciTech Connect

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.

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

2001-03-01T23:59:59.000Z

266

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

SciTech Connect

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.

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

2001-03-01T23:59:59.000Z

267

Industrial Demand Module  

Gasoline and Diesel Fuel Update (EIA)

This page intentionally left blank This page intentionally left blank 51 U.S. Energy Information Administration | Assumptions to the Annual Energy Outlook 2011 Industrial Demand Module The NEMS Industrial Demand Module estimates energy consumption by energy source (fuels and feedstocks) for 15 manufacturing and 6 non-manufacturing industries. The manufacturing industries are further subdivided into the energy- intensive manufacturing industries and nonenergy-intensive manufacturing industries (Table 6.1). The manufacturing industries are modeled through the use of a detailed process-flow or end-use accounting procedure, whereas the non- manufacturing industries are modeled with substantially less detail. The petroleum refining industry is not included in the Industrial Module, as it is simulated separately in the Petroleum Market Module of NEMS. The Industrial Module calculates

268

Industrial Demand Module  

Gasoline and Diesel Fuel Update (EIA)

2 2 Industrial Demand Module The NEMS Industrial Demand Module estimates energy consumption by energy source (fuels and feedstocks) for 15 manufacturing and 6 non-manufacturing industries. The manufacturing industries are further subdivided into the energy- intensive manufacturing industries and non-energy-intensive manufacturing industries (Table 6.1). The manufacturing industries are modeled through the use of a detailed process-flow or end-use accounting procedure, whereas the non- manufacturing industries are modeled with substantially less detail. The petroleum refining industry is not included in the Industrial Demand Module, as it is simulated separately in the Petroleum Market Module of NEMS. The Industrial Demand Module calculates energy consumption for the four Census Regions (see Figure 5) and disaggregates the energy consumption

269

Calibration of Chemical Kinetic Models Using Simulations of Small-Scale Cookoff Experiments  

SciTech Connect

Establishing safe handling limits for explosives in elevated temperature environments is a difficult problem that often requires extensive simulation. The largest influence on predicting thermal cookoff safety lies in the chemical kinetic model used in these simulations, and these kinetic model reaction sequences often contain multiple steps. Several small-scale cookoff experiments, notably Differential Scanning Calorimetry (DSC), Thermogravimetric Analysis (TGA), One-Dimensional Time-to-Explosion (ODTX), and the Scaled Thermal Explosion (STEX) have been performed on various explosives to aid in cookoff behavior determination. Past work has used a single test from this group to create a cookoff model, which does not guarantee agreement with the other experiments. In this study, we update the kinetic parameters of an existing model for the common explosive 2,4,6-Trinitrotoluene (TNT) using DSC and ODTX experimental data at the same time by minimizing a global Figure of Merit based on hydrodynamic simulated data. We then show that the new kinetic model maintains STEX agreement, reduces DSC agreement, and improves ODTX and TGA agreement when compared to the original model. In addition, we describe a means to use implicit hydrodynamic simulations of DSC experiments to develop a reaction model for TNT melting.

Wemhoff, A P; Becker, R C; Burnham, A K

2008-02-26T23:59:59.000Z

270

Analysing and modelling international trade patterns of the Australian wine industry in the world wine market.  

E-Print Network (OSTI)

??Since the mid-1980s, trade liberalisation has encouraged the growth of Australia’s international trade. The Australian wine industry has been successful in the world wine market,… (more)

Boriraj, Jumpoth

2008-01-01T23:59:59.000Z

271

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

E-Print Network (OSTI)

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 ...

Jearasatit, Apichart

2010-01-01T23:59:59.000Z

272

Jeff Cornett Manager, Industrial and Economic Development  

NLE Websites -- All DOE Office Websites (Extended Search)

and numerous chemical industry clients such as chemical manufacturers, oil & gas refineries, paper product manufacturers, and special material manufacturers assisting them with...

273

Simulation of Cloud Microphysical and Chemical Processes Using a Multicomponent Framework. Part I: Description of the Microphysical Model  

Science Conference Proceedings (OSTI)

A detailed microphysical and chemical cloud model has been developed to investigate the redistribution of atmospheric trace substances through cloud processes. A multicomponent categorization scheme is used to group cloud particles into different ...

Jen-Ping Chen; Dennis Lamb

1994-09-01T23:59:59.000Z

274

Poultry Industry: Industry Brief  

Science Conference Proceedings (OSTI)

This Electric Power Research Institute (EPRI) Industry Brief provides an overview of the U.S. poultry industry and ways in which electric-powered processes and technologies can be used in poultry and egg production and processing. The poultry industry, which consists of poultry production for meat as well as egg production and processing, is one of the fastest growing segments of the U.S. food manufacturing industry. It is also an energy-intensive industry. In fact, a 2010 report by the USDA illustrates ...

2011-03-30T23:59:59.000Z

275

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

DOE Green Energy (OSTI)

With funding from past grants from the DOE geothermal program and other agencies, we successfully developed advanced equation of state (EOS) and simulation technologies that accurately describe the chemistry of geothermal reservoirs and energy production processes via their free energies for wide XTP ranges. Using the specific interaction equations of Pitzer, we showed that our TEQUIL chemical models can correctly simulate behavior (e.g., mineral scaling and saturation ratios, gas break out, brine mixing effects, down hole temperatures and fluid chemical composition, spent brine incompatibilities) within the compositional range (Na-K-Ca-Cl-SO4-CO3-H2O-SiO2-CO2(g)) and temperature range (T < 350°C) associated with many current geothermal energy production sites that produce brines with temperatures below the critical point of water. The goal of research carried out under DOE grant DE-FG36-04GO14300 (10/1/2004-12/31/2007) was to expand the compositional range of our Pitzer-based TEQUIL fluid/rock interaction models to include the important aluminum and silica interactions (T < 350°C). Aluminum is the third most abundant element in the earth’s crust; and, as a constituent of aluminosilicate minerals, it is found in two thirds of the minerals in the earth’s crust. The ability to accurately characterize effects of temperature, fluid mixing and interactions between major rock-forming minerals and hydrothermal and/or injected fluids is critical to predict important chemical behaviors affecting fluid flow, such as mineral precipitation/dissolution reactions. We successfully achieved the project goal and objectives by demonstrating the ability of our modeling technology to correctly predict the complex pH dependent solution chemistry of the Al3+ cation and its hydrolysis species: Al(OH)2+, Al(OH)2+, Al(OH)30, and Al(OH)4- as well as the solubility of common aluminum hydroxide and aluminosilicate minerals in aqueous brines containing components (Na, K, Cl) commonly dominating hydrothermal fluids. In the sodium chloride system, where experimental data for model parameterization are most plentiful, the model extends to 300°C. Determining the stability fields of aluminum species that control the solubility of aluminum-containing minerals as a function of temperature and composition has been a major objective of research in hydrothermal chemistry.

Moller, Nancy; Weare J. H.

2008-05-29T23:59:59.000Z

276

NEMS industrial module documentation report  

SciTech Connect

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 2010) 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 output of industrial activity. Based on the values of these variables, the Industrial Model passes back to the NEMS system estimates of consumption by fuel types.

1994-01-01T23:59:59.000Z

277

Finite-volume model for chemical vapor infiltration incorporating radiant heat transfer. Interim report  

SciTech Connect

Most finite-volume thermal models account for the diffusion and convection of heat and may include volume heating. However, for certain simulation geometries, a large percentage of heat flux is due to thermal radiation. In this paper a finite-volume computational procedure for the simulation of heat transfer by conduction, convection and radiation in three dimensional complex enclosures is developed. The radiant heat transfer is included as a source term in each volume element which is derived by Monte Carlo ray tracing from all possible radiating and absorbing faces. The importance of radiative heat transfer is illustrated in the modeling of chemical vapor infiltration (CVI) of tubes. The temperature profile through the tube preform matches experimental measurements only when radiation is included. An alternative, empirical approach using an {open_quotes}effective{close_quotes} thermal conductivity for the gas space can match the initial temperature profile but does not match temperature changes that occur during preform densification.

Smith, A.W.; Starr, T.L. [Georgia Institute of Technology, Atlanta, GA (United States). School of Materials Science and Engineering

1995-05-01T23:59:59.000Z

278

Radiation thermo-chemical models of protoplanetary disks I. Hydrostatic disk structure and inner rim  

E-Print Network (OSTI)

This paper introduces a new disk code, called ProDiMo, to calculate the thermo-chemical structure of protoplanetary disks and to interpret gas emission lines from UV to sub-mm. We combine frequency-dependent 2D dust continuum radiative transfer, kinetic gas-phase and UV photo-chemistry, ice formation, and detailed non-LTE heating & cooling balance with the consistent calculation of the hydrostatic disk structure. We include FeII and CO ro-vibrational line heating/cooling relevant for the high-density gas close to the star, and apply a modified escape probability treatment. The models are characterized by a high degree of consistency between the various physical, chemical and radiative processes, where the mutual feedbacks are solved iteratively. In application to a T Tauri disk extending from 0.5AU to 500AU, the models are featured by a puffed-up inner rim and show that the dense, shielded and cold midplane (z/r<0.1, Tg~Td) is surrounded by a layer of hot (5000K) and thin (10^7 to 10^8 cm^-3) atomic ga...

Woitke, Peter; Thi, Wing-Fai

2009-01-01T23:59:59.000Z

279

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

SciTech Connect

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

Koert, D.N. [Wichita State Univ., KS (United States). Mechanical Engineering Dept.; Pitz, W.J. [Lawrence Livermore National Lab., CA (United States); Bozzelli, J.W. [New Jersey Inst. of Tech., Newark, NJ (United States). Chemistry and Chemical Engineering Dept.; Cernansky, N.P. [Drexel Univ., Philadelphia, PA (United States). Dept. of Mechanical Engineering and Mechanics

1995-11-08T23:59:59.000Z

280

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

SciTech Connect

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

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

2002-08-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

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

DOE Green Energy (OSTI)

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.

Eric Wachsman; Keith L. Duncan

2006-09-30T23:59:59.000Z

282

Modeling of absorption heat pumps: solar applications employing chemical storage and steady-state modeling with a comparison to experiments  

SciTech Connect

This work develops simulation models for absorption heat pumps (AHPs) with the goal of enabling a more analytical approach to their study and design. A continuous, liquid absorbent AHP with chemical storage is modeled using mass and energy balances and assuming mass transfer equilibrium. This model is used with the TRNSYS program to simulate the performance of an AHP in a residential solar-driven heating and cooling system. The steady-state and cyclic testing of a prototype gas-fired ammonia-water AHP in an environmental chamber is described; measurements include temperatures, pressures, absorbent concentrations, flow rates and heat flows. The coefficient of performance and heating capacity depend most strongly on ambient temperature; varying the load water temperature and flow rate has lesser effects. The performance of the unit is sensitive to refrigerant charge, with the optimum charge varying with ambient temperature. This AHP shows a significant performance degradation in cyclic operation. A modular, steady-state simulation program for absorption heat pumps in developed and validated with experimental data. The model utilizes an analysis of the refrigerant and absorbent inventory to set the system pressures.

McLinden, M.O.

1984-01-01T23:59:59.000Z

283

Comments on the use of computer models for merger analysis in the electricity industry  

E-Print Network (OSTI)

, factors on which information in available in the electricity industry. 1 University of California Energy price. The ability to profitably pursue such a strategy is the primary concern of market power analysis designed to aid in analysis of market power must be able to incorporate strategic firm behavior

California at Berkeley. University of

284

Supercomputing applications to the numerical modeling of industrial and applied mathematics problems  

Science Conference Proceedings (OSTI)

Present and future supercomputers offer many opportunities and advantages to attack complex and demanding industrial and applied mathematical problems, but provide also new challenges. In the Peta-Flops regime, these ... Keywords: Fault-tolerance, Monte Carlo methods, Parallel computing, Scalability, Supercomputers, Supercomputing

Juan A. Acebrón; Renato Spigler

2007-04-01T23:59:59.000Z

285

A Numerical Model for Evaluating the Impact of Noble Metal Chemical Addition in Boiling Water Reactors  

SciTech Connect

The technique of noble metal chemical addition (NMCA), accompanied by a low-level hydrogen water chemistry (HWC), is being employed by several U.S. nuclear power plants for mitigating intergranular stress corrosion cracking in the vessel internals of their boiling water reactors (BWRs). An improved computer model by the name of DEMACE was employed to evaluate the performance of NMCA throughout the primary coolant circuit (PCC) of a commercial BWR. The molar ratios of hydrogen to oxidizing species in the PCC under normal water chemistry and HWC are analyzed. The effectiveness of NMCA is justified by calculated electrochemical corrosion potential (ECP) around the PCC and in a local power range monitoring (LPRM) housing tube, in which practical in-vessel ECP measurements are normally taken.Prior to the modeling work for the BWR, the Mixed Potential Model, which is embedded in DEMACE and responsible for ECP calculation, was calibrated against both laboratory and plant ECP data. After modeling for various HWC conditions, it is found that the effectiveness of NMCA in the PCC of the selected BWR varies from region to region. In particular, the predicted ECP in the LPRM housing tube is notably different from that in the nearby bulk environment under NMCA, indicating that cautions must be given to a possible, undesirable outcome due to a distinct ECP difference between a locally confined area and the actual bulk environment.

Yeh, T.-K. [National Tsing-Hua University, Taiwan (China)

2002-10-15T23:59:59.000Z

286

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

SciTech Connect

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

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

2006-08-07T23:59:59.000Z

287

Modeling Wettability Alteration using Chemical EOR Processes in Naturally Fractured Reservoirs  

Science Conference Proceedings (OSTI)

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

Mojdeh Delshad; Gary A. Pope; Kamy Sepehrnoori

2007-09-30T23:59:59.000Z

288

The influence of material models on chemical or nuclear-explosion source functions  

SciTech Connect

Physical models of explosion sources are needed to explain the variations in the performance of existing discriminants in different regions, and to help develop more robust methods for identifying underground explosions. In this paper, we assess the sensitivity of explosion source functions to material properties by means of numerical simulations. Specifically, we have calculated the effect of varying the yield strength, overburden pressure, and gas porosity on the spectra of the reduced velocity potential for both nuclear and chemical explosions, and compared these with experimental results derived from free-field particle acceleration and regional seismic (LNN) data. The chemical-explosion calculations were intended to simulate the kiloton experiment recently conducted in Area 12 of the Nevada Test Site (NTS) that has been dubbed the Non-Proliferation Experiment (NPE). We found that the asymptotic (long period) value of the reduced displacement potential, {phi}{infinity}, for explosions with the ANFO blasting agent used in the NPE, was larger than that derived for a tamped nuclear explosion of the same yield by a factor of 1.9, in good agreement with the experimental results derived from free-field particle velocity measurements, and also with m{sub b}(P{sub n}) data from the Livermore Nevada Network (LNN).

Glenn, L.A.; Goldstein, P.

1994-04-01T23:59:59.000Z

289

Turning industry visions into reality  

Science Conference Proceedings (OSTI)

This brochure outlines the activities of the Office of Industrial Technologies (OIT) in the Department of Energy. OIT activities are aimed at industry adoption of energy-efficient, pollution-reducing technologies and include research and development on advanced technologies, financing, technical assistance, information dissemination, education, and bringing together industry groups, universities, National Laboratories, states, and environmentalists. OIT`s core initiative is to facilitate partnerships within seven materials and process industries: aluminum, chemicals, forest products, glass, metalcasting, petroleum refining, and steel industries.

NONE

1997-01-01T23:59:59.000Z

290

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

SciTech Connect

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.

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

2013-01-01T23:59:59.000Z

291

Industrial Demand Module  

Gasoline and Diesel Fuel Update (EIA)

The NEMS Industrial Demand Module estimates energy consumption by energy source (fuels and The NEMS Industrial Demand Module estimates energy consumption by energy source (fuels and feedstocks) for 12 manufacturing and 6 nonmanufacturing industries. The manufacturing industries are further subdivided into the energy-intensive manufacturing industries and nonenergy-intensive manufacturing industries. The manufacturing industries are modeled through the use of a detailed process flow or end use accounting procedure, whereas the nonmanufacturing industries are modeled with substantially less detail (Table 17). The Industrial Demand Module forecasts energy consumption at the four Census region level (see Figure 5); energy consumption at the Census Division level is estimated by allocating the Census region forecast using the SEDS 27 data.

292

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

SciTech Connect

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

Koert, D.N. [Wichita State Univ., KS (United States). Mechanical Engineering Dept.; Pitz, W.J. [Lawrence Livermore National Lab., CA (United States); Bozzelli, J.W. [New Jersey Inst. of Tech., Newark, NJ (United States). Chemistry and Chemical Engineering Dept.; Cernansky, N.P. [Drexel Univ., Philadelphia, PA (United States). Dept. of Mechanical Engineering and Mechanics

1996-02-01T23:59:59.000Z

293

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

Science Conference Proceedings (OSTI)

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

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

2011-10-05T23:59:59.000Z

294

Standardizing model-based in-vehicle infotainment development in the German automotive industry  

Science Conference Proceedings (OSTI)

Based on the analysis of existing HMI development processes in the automotive domain, a reference process for software engineering has been developed. This process was used to develop a domain data model and a model-based specification language in order ... Keywords: HMI, automotive, domain data model, interaction design, model-based language, specification, user interface design

Steffen Hess; Anne Gross; Andreas Maier; Marius Orfgen; Gerrit Meixner

2012-10-01T23:59:59.000Z

295

Evolution of the quaternary magmatic system, Mineral Mountains, Utah: Interpretations from chemical and experimental modeling  

DOE Green Energy (OSTI)

The evolution of silicic magmas in the upper crust is characterized by the establishment of chemical and thermal gradients in the upper portion of magma chambers. The chemical changes observed in rhyolite magmas erupted over a period of 300,000 years in the Mineral Mountains are similar to those recorded at Twin Peaks, Utah, and in the spatially zoned Bishop Tuff from Long Valley, California. Chemical and fluid dynamic models indicate that cooling of a silicic magma body from the top and sides can result in the formation of a roof zone above a convecting region which is chemically and thermally stratified, as well as highly fractionated and water rich. Crystallization experiments have been performed with sodium carbonate solutions as an analog to crystallization in magmatic systems. Top and side cooling of a homogeneous sodium carbonate solution results in crystallization along the top and sides and upward convection of sodium carbonate-depleted fluid. A stably stratified roof zone, which is increasingly water rich and cooler upwards, develops over a thermally and chemically homogeneous convecting region. Crystallization at the top ultimately ceases, and continued upward convection of water-rich fluid causes a slight undersaturation adjacent to the roof despite cooler temperatures. By analogy, crystallization at the margins of a magma chamber and buoyant rise of the fractionated boundary layer into the roof zone can account for the chemical evolution of the magma system at the Mineral Mountains. To produce compositionally stratified silicic magmas requires thermal input to a silicic system via mafic magmas. The small volume, phenocryst-poor rhyolite magma which persisted for at least 300,000 years in the Mineral Mountains requires the presence of a continued thermal input from a mafic magma source. The presence of silicic lavas signifies that there is a substantial thermal anomaly both in the crust and upper mantle. The production of silicic lavas requires (1) the heating of the lower crust to near the solidus for silicic melts, (2) partial fusion by the additional convective transfer of heat from the mantle by injection of the basaltic magma, (3) continued input of heat in excess of the conductive and convective heat loss to allow the crustal melt to grow to some critical size so that it can rise buoyantly into the upper crust. In the Mineral Mountains there has been an inadequate prolonged thermal flux to produce caldera-forming eruptions. Moreover, the distributed extension in the Basin and Range allows for the propagation of small volumes of magma upward probably in dike-like bodies parallel to the direction of maximum horizontal compressive stress. The erupted lavas represent a highly differentiated and presumably small fraction of the total volume of silicic magma which is contained at considerable depth.

Nash, W.P.; Crecraft, H.R.

1982-09-01T23:59:59.000Z

296

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

E-Print Network (OSTI)

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 ...

Niu, Sidi

297

Climate VISION: Private Sector Initiatives: Chemical Manufacturing...  

Office of Scientific and Technical Information (OSTI)

Contact Us CHEMICAL MANUFACTURING Letters of IntentAgreements Work Plans GHG Information Energy Footprints Industry Analysis Briefs Resources & Links Industry Associations...

298

Sponsors Reception for the American Chemical Society ...  

Science Conference Proceedings (OSTI)

... on long-term basic research industry needs ... uses federal-industry-university partnerships to ... including chemicals; electronics; energy, power, and ...

2010-10-05T23:59:59.000Z

299

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

Science Conference Proceedings (OSTI)

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.

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

2010-08-15T23:59:59.000Z

300

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

SciTech Connect

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.

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

2011-07-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

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

E-Print Network (OSTI)

non-energy benefits, U.S. steel industry (Worrell et al.improvements in U.S. iron and steel industry (Worrell et al.for the U.S. iron and steel industry in 1994 (Figure 1).

Sathaye, J.

2011-01-01T23:59:59.000Z

302

Theoretical and Experimental Evaluation of Chemical Reactivity  

E-Print Network (OSTI)

Reactive chemicals are presented widely in the chemical and petrochemical process industry. Their chemical reactivity hazards have posed a significant challenge to the industries of manufacturing, storage and transportation. The accidents due to reactive chemicals have caused tremendous loss of properties and lives, and damages to the environment. In this research, three classes of reactive chemicals (unsaturated hydrocarbons, self-reacting chemicals, energetic materials) were evaluated through theoretical and experimental methods. Methylcyclopentadiene (MCP) and Hydroxylamine (HA) are selected as representatives of unsaturated hydrocarbons and self-reacting chemicals, respectively. Chemical reactivity of MCP, including isomerization, dimerization, and oxidation, is investigated by computational chemistry methods and empirical thermodynamic–energy correlation. Density functional and ab initio methods are used to search the initial thermal decomposition steps of HA, including unimolecular and bimolecular pathways. In addition, solvent effects are also examined using water cluster methods and Polarizable Continuum Models (PCM) for aqueous solution of HA. The thermal stability of a basic energetic material, Nitroethane, is investigated through both theoretical and experimental methods. Density functional methods are employed to explore the initial decomposition pathways, followed by developing detailed reaction networks. Experiments with a batch reactor and in situ GC are designed to analyze the distribution of reaction products and verify reaction mechanisms. Overall kinetic model is also built from calorimetric experiments using an Automated Pressure Tracking Adiabatic Calorimeter (APTAC). Finally, a general evaluation approach is developed for a wide range of reactive chemicals. An index of thermal risk is proposed as a preliminary risk assessment to screen reactive chemicals. Correlations are also developed between reactivity parameters, such as onset temperature, activation energy, and adiabatic time to maximum rate based on a limited number, 37 sets, of Differential Scanning Calorimeter (DSC) data. The research shows broad applications in developing reaction mechanisms at the molecular level. The methodology of reaction modeling in combination with molecular modeling can also be used to study other reactive chemical systems.

Wang, Qingsheng

2010-08-01T23:59:59.000Z

303

Modelling and simulation of acid gas condensation in an industrial chimney - article no. A39  

Science Conference Proceedings (OSTI)

Coal power stations as well as waste incinerators produce humid acid gases which may condense in industrial chimneys. These condensates can cause corrosion of chimney internal cladding which is made of stainless steel, nickel base alloys or non metallic materials. In the aim of polluting emission reduction and material optimal choice, it is necessary to determine and characterize all the phenomena which occur throughout the chimney and more especially condensation and dissolution of acid gases (in this particular case, sulfur dioxide SO{sub 2}).

Serris, E.; Cournil, M.M.; Peultier, J. [Ecole des Mines de St Etienne, St Etienne (France)

2009-07-01T23:59:59.000Z

304

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

SciTech Connect

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.

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

2009-07-01T23:59:59.000Z

305

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

Science Conference Proceedings (OSTI)

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.

Chipman, V D

2011-09-20T23:59:59.000Z

306

Statistics-based model for prediction of chemical biosynthesis yield from Saccharomyces cerevisiae  

E-Print Network (OSTI)

Background: The robustness of Saccharomyces cerevisiae in facilitating industrial-scale production of ethanol extends its utilization as a platform to synthesize other metabolites. Metabolic engineering strategies, typically ...

Xiao, Yi

307

Industrial Demand Module  

Reports and Publications (EIA)

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

Kelly Perl

2013-05-14T23:59:59.000Z

308

Industrial Demand Module  

Reports and Publications (EIA)

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

Kelly Perl

2013-09-30T23:59:59.000Z

309

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

E-Print Network (OSTI)

St. Louis, Missouri. Energy Technology Support Unit (ETSU),de Beer, 1997. "Energy Efficient Technologies in Industry -and MAIN, 1993. “Energy Technology in the Cement Industrial

Sathaye, J.

2011-01-01T23:59:59.000Z

310

Dairy Industry: Industry Brief  

Science Conference Proceedings (OSTI)

This Electric Power Research Institute (EPRI) Industry Brief provides an overview of the U.S. dairy industry and ways in which electric-powered processes and technologies can be used in milk production and processing. Because of the different processes involved, the characteristics of energy consumption at milk production and processing facilities vary by facility. Most energy used in milk production is in the form of diesel fuel, followed by electricity and then by petroleum products such as gasoline an...

2011-03-30T23:59:59.000Z

311

AERMOD: A Dispersion Model for Industrial Source Applications. Part I: General Model Formulation and Boundary Layer Characterization  

Science Conference Proceedings (OSTI)

The formulation of the American Meteorological Society (AMS) and U.S. Environmental Protection Agency (EPA) Regulatory Model (AERMOD) Improvement Committee’s applied air dispersion model is described. This is the first of two articles describing ...

Alan J. Cimorelli; Steven G. Perry; Akula Venkatram; Jeffrey C. Weil; Robert?J. Paine; Robert B. Wilson; Russell F. Lee; Warren D. Peters; Roger W. Brode

2005-05-01T23:59:59.000Z

312

AERMOD: A Dispersion Model for Industrial Source Applications. Part II: Model Performance against 17 Field Study Databases  

Science Conference Proceedings (OSTI)

The performance of the American Meteorological Society (AMS) and U.S. Environmental Protection Agency (EPA) Regulatory Model (AERMOD) Improvement Committee’s applied air dispersion model against 17 field study databases is described. AERMOD is a ...

Steven G. Perry; Alan J. Cimorelli; Robert J. Paine; Roger W. Brode; Jeffrey C. Weil; Akula Venkatram; Robert B. Wilson; Russell F. Lee; Warren D. Peters

2005-05-01T23:59:59.000Z

313

Construction Industry Software  

Science Conference Proceedings (OSTI)

... Translates a CIS/2 (CIMsteel Integration Standards) file into a 3D interactive VRML model of a steel structure or an IFC (Industry Foundation Classes ...

2012-04-23T23:59:59.000Z

314

Restaurant Industry Stock Price Forecasting Model Utilizing Artificial Neural Networks to Combine Fundamental and Technical Analysis.  

E-Print Network (OSTI)

??Stock price forecasting is a classic problem facing analysts. Forcasting models have been developed for predicting individual stocks and stock indices around the world and… (more)

Dravenstott, Ronald W.

2012-01-01T23:59:59.000Z

315

AGRI-SCIENCE CHEMICAL BIOLOGY  

E-Print Network (OSTI)

AGRI-SCIENCE CHEMICAL BIOLOGY NETWORK Vehicle for translation: Pioneering a cross-academic, -industry and -government network Chemical Biology Community Agri- Sciences Community Industry Policy makers), with multidisciplinary approaches being the drivers enabling this. Chemical Biology through physical science innovation

316

Effect of finite chemical potential on QGP-Hadron phase transition in a statistical model of fireball formation  

E-Print Network (OSTI)

We study the effect of finite chemical potential for the QGP constituents in the Ramanathan et al. statistical model (Phys.Rev.C70, 027903,2004). While the earlier computations using this model with vanishing chemical potentials indicated a weakly first order phase transition for the system in the vicinity of 170 MeV (Pramana, 68, 757, 2007), the introduction of finite values for the chemical potentials of the constituents makes the transition a smooth roll over of the phases, while allowing fireball formation with radius of a few "fermi" to take place. This seems to be in conformity with the latest consensus on the nature of the QGP-Hadron phase transition. Keywords: Quark Gluon Plasma, Quark Hadron Phase Transition

R. Ramanathan; Agam k. Jha; K. k. Gupta; S. S. Singh

2008-02-18T23:59:59.000Z

317

Review of the shear-stress transport turbulence model experience from an industrial perspective  

Science Conference Proceedings (OSTI)

The present author was asked to provide an update on the status and the more recent developments around the shear-stress transport (SST) turbulence model for this special issue of the journal. The article is therefore not intended as a comprehensive ... Keywords: SAS, SST turbulence model, engineering flows, laminar-turbulent transition, scale-adaptive simulation, unsteady flows

Florian R. Menter

2009-04-01T23:59:59.000Z

318

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)

fuel and electricity supplied to the industries are based onof all electricity in the chemical industry is consumed byuse of electricity in the total chemical industry and the

Neelis, Maarten

2008-01-01T23:59:59.000Z

319

Future scenarios for green chemical supply chains  

E-Print Network (OSTI)

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 ...

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

2013-01-01T23:59:59.000Z

320

Modelling the corrugation of the three-phase contact line perpendicular to a chemically striped substrate  

E-Print Network (OSTI)

We model an infinitely long liquid bridge confined between two plates chemically patterned by stripes of same width and different contact angle, where the three-phase contact line runs, on average, perpendicular to the stripes. This allows us to study the corrugation of a contact line in the absence of pinning. We find that, if the spacing between the plates is large compared to the length scale of the surface patterning, the cosine of the macroscopic contact angle corresponds to an average of cosines of the intrinsic angles of the stripes, as predicted by the Cassie equation. If, however, the spacing becomes of order the length scale of the pattern there is a sharp crossover to a regime where the macroscopic contact angle varies between the intrinsic contact angle of each stripe, as predicted by the local Young equation. The results are obtained using two numerical methods, Lattice Boltzmann (a diffuse interface approach) and Surface Evolver (a sharp interface approach), thus giving a direct comparison of two popular numerical approaches to calculating drop shapes when applied to a non-trivial contact line problem. We find that the two methods give consistent results if we take into account a line tension in the free energy. In the lattice Boltzmann approach, the line tension arises from discretisation effects at the diffuse three phase contact line.

F. J. Montes Ruiz-Cabello; H. Kusumaatmaja; M. A. Rodriguez-Valverde; J. M. Yeomans; M. A. Cabrerizo-Vilchez

2009-04-29T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

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

DOE Green Energy (OSTI)

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

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

1982-07-01T23:59:59.000Z

322

Texas Industries of the Future  

E-Print Network (OSTI)

The purpose of the Texas Industries of the Future program is to facilitate the development, demonstration and adoption of advanced technologies and adoption of best practices that reduce industrial energy usage, emissions, and associated costs, resulting in improved competitive performance. The bottom line for Texas industry is savings in energy and materials, cost-effective environmental compliance, increased productivity, reduced waste, and enhanced product quality. The state program leverages the programs and tools of the federal Department of Energy's Industries of the Future. At the federal level, there are nine Industries of the Future: refining, chemicals, aluminum, steel, metal casting, glass, mining, agriculture, and forest products. These industries were selected nationally because they supply over 90% of the U.S. economy's material needs and account for 75% of all energy use by U.S. industry. In Texas, three IOF sectors, chemicals, refining and forest products, account for 86% of the energy used by industry in this state.

Ferland, K.

2002-04-01T23:59:59.000Z

323

Model-Checking CSP-Z: Strategy, Tool Support and Industrial Application  

E-Print Network (OSTI)

Model-checking is now widely accepted as an ecient method for analysing computer system properties, such as deadlock-freedom. Its practical applicability is due to existing automatic tools which deal with tedious proofs. Another research area of increasing interest is formal language integration where the capabilities of each language are used to capture precisely some aspects of a system. In this paper we propose a general strategy for model-checking CSP-Z specications using as tool support the FDR model-checker. The CSP-Z language is a semantical integration of CSP and Z, such that CSP handles the concurrent aspects of a system, and Z the data structures part. We also present a modular approach for model-checking complex CSP-Z specications, specically to verify deadlock-freedom. Finally, we present a CSP-Z specication for a subset of a real Brazilian articial microssatellite, and apply the proposed strategy to prove that this specication is deadlock-free. Key words: Model-Chec...

Alexandre Mota; Augusto Sampaio

2001-01-01T23:59:59.000Z

324

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

SciTech Connect

The performance assessment of a geological repository for radioactive waste requires quantifying the geochemical evolution of the bentonite engineered barrier. This barrier will be exposed to coupled thermal (T), hydrodynamic (H), mechanical (M) and chemical (C) processes. This paper presents a coupled THC model of the FEBEX (Full-scale Engineered Barrier EXperiment) in situ test which accounts for bentonite swelling and chemical and thermal osmosis. Model results attest the relevance of thermal osmosis and bentonite swelling for the geochemical evolution of the bentonite barrier while chemical osmosis is found to be almost irrelevant. The model has been tested with data collected after the dismantling of heater 1 of the in situ test. The model reproduces reasonably well the measured temperature, relative humidity, water content and inferred geochemical data. However, it fails to mimic the solute concentrations at the heater-bentonite and bentonite-granite interfaces because the model does not account for the volume change of bentonite, the CO{sub 2}(g) degassing and the transport of vapor from the bentonite into the granite. The inferred HCO{sub 3}{sup -} and pH data cannot be explained solely by solute transport, calcite dissolution and protonation/deprotonation by surface complexation, suggesting that such data may be affected also by other reactions.

Zheng, L.; Samper, J.; Montenegro, L.

2011-04-01T23:59:59.000Z

325

Predictability of Total Ozone Using a Global Three-Dimensional Chemical Transport Model Coupled with the MRI/JMA98 GCM  

Science Conference Proceedings (OSTI)

A global three-dimensional chemical transport model is being developed for forecasting total ozone. The model includes detailed stratospheric chemistry and transport and couples with a dynamical module of the Meteorological Research Institute/...

T. T. Sekiyama; K. Shibata

2005-08-01T23:59:59.000Z

326

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)

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 ...

Patra, P. K.

327

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

E-Print Network (OSTI)

Cement Industry, An Energy Perspective", U.S. Department ofCost of Conserved Final Energy (US$/GJ) Final CCE includingwithout including non-energy benefits, U.S. steel industry (

Sathaye, J.

2011-01-01T23:59:59.000Z

328

Chapter 6: Simulation of ... absorbers: the behaviour of methanol and non-equilibrium stage modeling. Simulation of industrial formaldehyde absorbers  

E-Print Network (OSTI)

jobshavebeenwrittenonourVB6UHR EWF lithography tool during the past year. Working with industry Working through the James

Groningen, Rijksuniversiteit

329

Physical understanding and modeling of chemical mechanical planarization in dielectric materials  

E-Print Network (OSTI)

Chemical mechanical planarization (CMP) has become the enabling planarization technique of choice for current and emerging silicon integrated circuit (IC) fabrication processes. This work studies CMP in dielectric materials ...

Xie, Xiaolin, Ph. D. Massachusetts Institute of Technology

2007-01-01T23:59:59.000Z

330

Model-based dummy feature placement for oxide chemical-mechanical polishing manufacturability  

Science Conference Proceedings (OSTI)

Chemical-mechanical polishing (CMP) is an enabling technique used in deep-submicron VLSI manufacturing to achieve uniformity in long range oxide planarization [1]. Post-CMP oxide topography is highly related to local spatial pattern density in layout. ...

Ruiqi Tian; D. F. Wong; Robert Boone

2000-06-01T23:59:59.000Z

331

Succinic Acid-A Model Building Block for Chemical Production from Renewable Resources  

Science Conference Proceedings (OSTI)

One of the major considerations for the development of new technologies that can be utilized in a corn wet mill for the production of new chemical products is the concept of platform building blocks. This concept is based on the fact that a single building block has the potential to create a significant number of final products. Succinic acid represents a building block that can be used as a starting material for producing a large number of commodity and specialty chemicals.

Werpy, Todd A.; Frye, John G.; Holladay, John E.

2006-04-01T23:59:59.000Z

332

Chemical Evolution  

E-Print Network (OSTI)

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.

Francesca Matteucci

2007-04-05T23:59:59.000Z

333

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

Science Conference Proceedings (OSTI)

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

Zhang, Fan [ORNL; Yeh, Gour-Tsyh [University of Central Florida, Orlando; Parker, Jack C [ORNL; Brooks, Scott C [ORNL; Pace, Molly [ORNL; Kim, Young Jin [ORNL; Jardine, Philip M [ORNL; Watson, David B [ORNL

2007-01-01T23:59:59.000Z

334

Polybrominated dibenzo-p-dioxins/dibenzofurans and polybrominated diphenyl ethers in soil, vegetation, workshop-floor dust, and electronic shredder residue from an electronic waste recycling facility and in soils from a chemical industrial complex in eastern China  

SciTech Connect

In this study, 11 2,3,7,8-substituted PBDD/Fs and 10 polybrominated diphenyl ether (PBDE) congeners were determined in electronic shredder waste, workshop-floor dust, soil, and leaves (of plants on the grounds of the facility) from a large-scale electronic wastes (e-waste) recycling facility and in surface soil from a chemical-industrial complex (comprising a coke-oven plant, a coal-fired power plant, and a chlor-alkali plant) as well as agricultural areas in eastern China. Total PBDD/F concentrations in environmental samples were in the range of 113-818 pg/g dry wt (dw) for leaves, 392-18,500 pg/g dw for electronic shredder residues, 716-80,0000 pg/g dw for soil samples, and 89,600-14,3000 pg/g dw for workshop-floor dust from the e-waste recycling facility and in a range from nondetect (ND) to 427 pg/g dw in soil from the chemical-industrial complex. The highest mean concentrations of total PBDD/Fs were found in soil samples and workshop-floor dust from the e-waste recycling facility. The dioxin-like toxic equivalent (measured as TEQ) concentrations of PBDD/Fs were greater than the TEQs of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) reported in our previous study for the same set of samples. The concentrations of PBDFs were several orders of magnitude higher than the concentrations of PBDDs in samples from the e-waste facility or from soil from the chemical-industrial complex. A significant correlation was found between the concentrations of {Sigma}PBDD/Fs and {Sigma}PBDEs (r = 0.769, p < 0.01) and between SPBDD/Fs and the previously reported SPCDD/F concentrations (r = 0.805, p < 0.01). The estimated daily human intakes of TEQs contributed by PBDD/Fs via soil/dust ingestion and dermal exposures in e-waste recycling facilities were higher than the intakes of TEQs contributed by PCDD/Fs, calculated in our previous study. 45 refs., 2 figs., 2 tabs.

Jing Ma; Rudolf Addink; Sehun Yun; Jinping Cheng; Wenhua Wang; Kurunthachalam Kannan [Shanghai Jiao Tong University, Shanghai (China). School of Environmental Science and Engineering

2009-10-01T23:59:59.000Z

335

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

DOE Green Energy (OSTI)

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

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

1983-06-01T23:59:59.000Z

336

Hypergraphic Oriented Matroid Relational Dependency Flow Models of Chemical Reaction Networks  

E-Print Network (OSTI)

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.

Bailey, C G; Oliveira, J S

2009-01-01T23:59:59.000Z

337

Hypergraphic Oriented Matroid Relational Dependency Flow Models of Chemical Reaction Networks  

E-Print Network (OSTI)

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. 1

Colin G. Bailey; Dean W. Gull; Joseph S. Oliveira

2009-01-01T23:59:59.000Z

338

Photocatalytic degradation of oil industry hydrocarbons models at laboratory and at pilot-plant scale  

Science Conference Proceedings (OSTI)

Photodegradation/mineralization (TiO{sub 2}/UV Light) of the hydrocarbons: p-nitrophenol (PNP), naphthalene (NP) and dibenzothiophene (DBT) at three different reactors: batch bench reactor (BBR), tubular bench reactor (TBR) and tubular pilot-plant (TPP) were kinetically monitored at pH = 3, 6 and 10, and the results compared using normalized UV light exposition times. The results fit the Langmuir-Hinshelwood (LH) model; therefore, LH adsorption equilibrium constants (K) and apparent rate constants (k) are reported as well as the apparent pseudo-first-order rate constants, k{sub obs}{sup '} = kK/(1 + Kc{sub r}). The batch bench reactor is the most selective reactor toward compound and pH changes in which the reactivity order is: NP > DBT > PNP, however, the catalyst adsorption (K) order is: DBT > NP > PNP at the three pH used but NP has the highest k values. The tubular pilot-plant (TPP) is the most efficient of the three reactors tested. Compound and pH photodegradation/mineralization selectivity is partially lost at the pilot plant where DBT and NP reaches ca. 90% mineralization at the pH used, meanwhile, PNP reaches only 40%. The real time, in which these mineralization occur are: 180 min for PNP and 60 min for NP and DBT. The mineralization results at the TPP indicate that for the three compounds, the rate limiting step is the same as the degradation one. So that, there is not any stable intermediate that may accumulate during the photocatalytic treatment. (author)

Vargas, Ronald; Nunez, Oswaldo [Laboratorio de Fisicoquimica Organica y Quimica Ambiental, Departamento de Procesos y Sistemas, Universidad Simon Bolivar, Apartado Postal 89000, Caracas (Venezuela)

2010-02-15T23:59:59.000Z

339

Lattice QCD at non-zero chemical potential and the resonance gas model  

E-Print Network (OSTI)

We present results from lattice calculations on the thermodynamics of QCD at non-zero temperature and baryon chemical potential and discuss the role of resonances for the occurrence of the transition to the quark-gluon plasma in hot and dense matter. Properties of a hadronic resonance gas are compared to lattice results on the equation of state at zero as well as non-zero baryon chemical potential. Furthermore, it is shown that the quark mass dependence of the transition temperature can be understood in terms of lines of constant energy density in a resonance gas.

Frithjof Karsch

2004-01-26T23:59:59.000Z

340

2+1 Flavor Polyakov--Nambu--Jona-Lasinio Model at Finite Temperature and Nonzero Chemical Potential  

E-Print Network (OSTI)

We extend the Polyakov-loop improved Nambu--Jona-Lasinio (PNJL) model to 2+1 flavor case to study the chiral and deconfinement transitions of strongly interacting matter at finite temperature and nonzero chemical potential. The Polyakov-loop, the chiral susceptibility of light quarks (u and d) and the strange quark number susceptibility as functions of temperature at zero chemical potential are determined and compared with the recent results of Lattice QCD simulations. We find that there is always an inflection point in the curve of strange quark number susceptibility accompanying the appearance of the deconfinement phase, which is consistent with the result of Lattice QCD simulations. Predictions for the case at nonzero chemical potential and finite temperature are made as well. We give the phase diagram in terms of the chemical potential and temperature and find that the critical endpoint (CEP) moves down to low temperature and finally disappears with the decrease of the strength of the 't Hooft flavor-mixing interaction.

Wei-jie Fu; Zhao Zhang; Yu-xin Liu

2007-11-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

Energy Efficiency Improvement in the Petroleum Refining Industry  

E-Print Network (OSTI)

Chemical Manufacturing and Petroleum Refining Industries.Saving Opportunities for Petroleum Refineries. An ENERGYAdministration (EIA), 2002. Petroleum Supply Annual 2001,

Worrell, Ernst; Galitsky, Christina

2005-01-01T23:59:59.000Z

342

Success stories: Industrial energy management | ENERGY STAR  

NLE Websites -- All DOE Office Websites (Extended Search)

stories Production Strategy Saves Money & Energy: Eastman Chemical Company Related resources Guidelines for Energy Management Energy guides Industrial service and product providers...

343

TACK: a program coupling chemical kinetics with a two-dimensional transport model in geochemical systems  

Science Conference Proceedings (OSTI)

The Transport And Chemical Kinetics (TACK) program has been designed to make predictions of the chemistry in the vicinity of a planned repository for nuclear waste, i.e. SFL 3-5, where SFL is the Swedish abbreviation for "Swedish repository for long-lived ... Keywords: coupled, diffusion, dispersion, reaction, transport, two-dimensional

Göran Källvenius; Christian Ekberg

2003-05-01T23:59:59.000Z

344

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

E-Print Network (OSTI)

Tracking Industrial Energy Efficiency and CO2 Emissions.and L. Price. 1999. Energy Efficiency and Carbon DioxideGalitsky. 2004. Energy Efficiency Improvement Opportunities

Sathaye, J.

2011-01-01T23:59:59.000Z

345

Outlook for Industrial Energy Benchmarking  

E-Print Network (OSTI)

The U.S. Environmental Protection Agency is exploring options to sponsor an industrial energy efficiency benchmarking study to identify facility specific, cost-effective best practices and technologies. Such a study could help develop a common understanding of opportunities for energy efficiency improvements and provide additional information to improve the competitiveness of U.S. industry. The EPA's initial benchmarking efforts will focus on industrial power facilities. The key industries of interest include the most energy intensive industries, such as chemical, pulp and paper, and iron and steel manufacturing.

Hartley, Z.

2000-04-01T23:59:59.000Z

346

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)

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 of a specific property, eq. Liquid Density #12;4 Appendix B Prediction Methods and NIST TDE Equations

Liu, Y. A.

347

Air pollutant emissions prediction by process modelling - Application in the iron and steel industry in the case of a re-heating furnace  

Science Conference Proceedings (OSTI)

Monitoring air pollutant emissions of large industrial installations is necessary to ensure compliance with environmental legislation. Most of the available measurement techniques are expensive, and measurement conditions such as high-temperature emissions, ... Keywords: Artificial neural networks, CO2, Correlation method, Fume emissions, Multiple linear regression, NO2, Steelworks process modelling

Anda Ionescu; Yves Candau

2007-09-01T23:59:59.000Z

348

Industrial Buildings  

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

Industrial Industrial Industrial / Manufacturing Buildings Industrial/manufacturing buildings are not considered commercial, but are covered by the Manufacturing Energy Consumption Survey (MECS). See the MECS home page for further information. Commercial buildings found on a manufacturing industrial complex, such as an office building for a manufacturer, are not considered to be commercial if they have the same owner and operator as the industrial complex. However, they would be counted in the CBECS if they were owned and operated independently of the manufacturing industrial complex. Specific questions may be directed to: Joelle Michaels joelle.michaels@eia.doe.gov CBECS Manager Release date: January 21, 2003 Page last modified: May 5, 2009 10:18 AM http://www.eia.gov/consumption/commercial/data/archive/cbecs/pba99/industrial.html

349

Industrial Applications  

Science Conference Proceedings (OSTI)

Table 2   Frequently used rubber linings in other industries...Application Lining Power industry Scrubber towers Blended chlorobutyl Limestone slurry tanks Blended chlorobutyl Slurry piping Blended chlorobutyl 60 Shore A hardness natural rubber Seawater cooling water

350

Industries Affected  

Science Conference Proceedings (OSTI)

Table 2   Industries affected by microbiologically influenced corrosion...generation: nuclear, hydro, fossil fuel,

351

A THREE-DIMENSIONAL MODELING STUDY OF THE EFFECTS OF SOLID-PHASE HYDROMETEOR-CHEMICAL INTERACTIONS IN CUMULONIMBUS CLOUDS ON TROPOSPHERIC CHEMICAL DISTRIBUTIONS  

E-Print Network (OSTI)

- and mixed-phase hydrometeors (cloud ice, snow, graupel, and hail) are often excluded or limited due of interactions of ice-phase cloud hydrometeors with volatile chemicals have found that they may significantly. 2. ICE- AND MIXED-PHASE CHEMISTRY 2.1 Gas-Solid Transfer Gas-phase chemical species can diffuse

Stuart, Amy L.

352

STATEMENT OF CONSIDERATIONS REQUEST BY AIR PRODUCTS AND CHEMICALS...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

its products and processes to various industries, including chemical processing, metallurgy, electronics, and pulp and paper industries. Air Products continues to maintain a...

353

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

SciTech Connect

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.

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

2009-03-09T23:59:59.000Z

354

A Modeling Study of the Influence of Ice Scavenging on the Chemical Composition of Liquid-Phase Precipitation of a Cumulonimbus Cloud  

Science Conference Proceedings (OSTI)

Evidence of the efficient removal of chemicals by ice particles has been deduced from past field experiments and laboratory studies. However, the ice phase has been poorly represented in prior cloud chemistry modeling. This paper uses a two-...

Nicole Audiffren; Sylvie Cautenet; Nadine Chaumerliac

1999-08-01T23:59:59.000Z

355

Numerical Modeling of Coupled Variably-Saturated Fluid Flow and Reactive Transport with Fast and Slow Chemical Reactions  

SciTech Connect

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically-based numerical model for simulation of coupled fluid flow and reactive chemical transport including both fast and slow reactions invariably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation-dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.

LI, MING-HSU; SIEGEL, MALCOLM D.; YEH, GOUR-TSYH (GEORGE)

1999-09-20T23:59:59.000Z

356

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

E-Print Network (OSTI)

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

Rosenbaum, Ralph K.

2010-01-01T23:59:59.000Z

357

Industrial process surveillance system  

DOE Patents (OSTI)

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.

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

1998-01-01T23:59:59.000Z

358

Industrial Process Surveillance System  

DOE Patents (OSTI)

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.

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

2001-01-30T23:59:59.000Z

359

Industrial process surveillance system  

DOE Patents (OSTI)

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.

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

1998-06-09T23:59:59.000Z

360

The influence of strange quarks on QCD phase diagram and chemical freeze-out: Results from the hadron resonance gas model  

E-Print Network (OSTI)

We confront the lattice results on QCD phase diagram for two and three flavors with the hadron resonance gas model. Taking into account the truncations in the Taylor-expansion of energy density $\\epsilon$ done on the lattice at finite chemical potential $\\mu$, we find that the hadron resonance gas model under the condition of constant $\\epsilon$ describes very well the lattice phase diagram. We also calculate the chemical freeze-out curve according to the entropy density $s$. The $s$-values are taken from lattice QCD simulations with two and three flavors. We find that this condition is excellent in reproducing the experimentally estimated parameters of the chemical freeze-out.

A. Tawfik

2004-10-25T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

Detection of Warming Effects Due to Industrialization: An Accumulated Intervention Model with an Application in Pohang, Korea  

Science Conference Proceedings (OSTI)

Modifications of surface air temperature caused by anthropogenic impacts have received much attention recently because of the heightened interest in climatic change. When an industrial area is constructed, resulting in a large-scale anthropogenic ...

S. B. Ryoo; S. E. Moon

1995-06-01T23:59:59.000Z

362

CHEPROO: A Fortran 90 object-oriented module to solve chemical processes in Earth Science models  

Science Conference Proceedings (OSTI)

Accurate prediction of contaminant migration in surface and ground water bodies, including interaction with aquifer and hyporheic zone materials requires reactive transport modeling. The increasing complexity and the procedure-oriented type of programming ... Keywords: Fortran 90, Geochemical modeling, Object-oriented programming, Reactive transport

S. A. Bea; J. Carrera; C. Ayora; F. Batlle; M. W. Saaltink

2009-06-01T23:59:59.000Z

363

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

E-Print Network (OSTI)

corresponding intake rates for respiration, water and foodwater and food, and estimate the resulting chemical exposure and intakewater) and ingested food. The resulting chemical intake rate

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

2004-01-01T23:59:59.000Z

364

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

SciTech Connect

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.

2008-12-01T23:59:59.000Z

365

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

E-Print Network (OSTI)

1982. Energy and the Steel Industry, Brussels, Belgium:in the Canadian Steel Industry, Ottawa, Canada: CANMET.in the Iron and Steel Industry,” in: Proceedings 1997 ACEEE

Xu, T.T.

2011-01-01T23:59:59.000Z

366

On modeling of chemical stimulation of an enhanced geothermal system using a high pH solution with chelating agent  

SciTech Connect

Dissolution of silica and calcite in the presence of a chelating agent (NTA) at a high pH was successfully demonstrated in laboratory experiments using a high-temperature flow reactor. (Note that the term 'silica' used here includes amorphous silica, quartz, and silicate glass bead). The mineral dissolution and associated porosity enhancement in the experiments were reproduced by reactive transport modeling using TOUGHREACT. The chemical stimulation method was applied by numerical modeling to a field geothermal injection well system to investigate its effectiveness. Parameters applicable to the quartz monzodiorite unit at the Enhanced Geothermal Systems (EGS) site at Desert Peak (Nevada) were used. Results indicate that the injection of a high pH chelating solution results in dissolution of both calcite and plagioclase, while avoiding precipitation of calcite at high temperature conditions. Consequently reservoir porosity and permeability can be enhanced especially near the injection well. Injection at a lower temperature of 120 C (over 160 C in the base-case) results in a porosity increase that is smaller close to the injection point, but extends to a larger radial distance. A slower kinetic rate results in less aggressive mineral dissolution close to the injection point and larger extent along the flow path, which is favorable for chemical stimulation.

Xu, T.; Rose, P.; Fayer, S.; Pruess, K.

2009-05-01T23:59:59.000Z

367

Shocktube driven BiF visible chemical laser. I - Numerical modeling of combustion driven shocktube experiments  

SciTech Connect

Calculations to determine the utility of an HF combustion-driven shocktube in the development of BiF(A-X) visible chemical lasers are presented. The calculations were performed with a one-dimensional reactive-flow Euler solver. The Euler solver uses a time-step split algorithm to advance the calculation over a time interval. A robust design can be developed that will simulate the heating produced in the FN3/TMB/He laser-gas mixture by a CO2 laser. Small amounts of water need to be included in the H2/F2/He driver gas mixture to assist in the thermalization of the vibrationally hot HF. 8 refs.

Smith, W.; Acebal, R.; Benard, D.J.; Graves, B. (Science Applications International Corp., Marietta, GA (United States) Rockwell International Science Center, Thousand Oaks, CA (United States) U.S. Army, Missile Command, Redstone Arsenal, AL (United States))

1992-07-01T23:59:59.000Z

368

Industry @ ALS  

NLE Websites -- All DOE Office Websites (Extended Search)

Industry @ ALS Industry @ ALS Industry @ ALS Concrete Industry Benefits from Ancient Romans and the ALS Print Thursday, 17 October 2013 14:24 New insights into the Romans' ingenious concrete harbor structures emerging from ALS beamline research could move the modern concrete industry toward its goal of a reduced carbon footprint. Summary Slide Read more... Moving Industry Forward: Finding the Environmental Opportunity in Biochar Print Thursday, 12 September 2013 08:41 Using ALS Beamlines 10.3.2 and 8.3.2, the Environmental Protection Agency (EPA) is currently investigating how biochar sorbs environmental toxins and which kinds of biochar are the most effective. The possibilities for widespread use have already launched entrepreneurial commercial ventures. Summary Slide

369

Coupled modeling of groundwater flow solute transport, chemical reactions and microbial processes in the 'SP' island  

Science Conference Proceedings (OSTI)

The Redox Zone Experiment was carried out at the Aespoe HRL in order to study the redox behavior and the hydrochemistry of an isolated vertical fracture zone disturbed by the excavation of an access tunnel. Overall results and interpretation of the Redox Zone Project were reported by /Banwart et al, 1995/. Later, /Banwart et al, 1999/ presented a summary of the hydrochemistry of the Redox Zone Experiment. Coupled groundwater flow and reactive transport models of this experiment were carried out by /Molinero, 2000/ who proposed a revised conceptual model for the hydrogeology of the Redox Zone Experiment which could explain simultaneously measured drawdown and salinity data. The numerical model was found useful to understand the natural system. Several conclusions were drawn about the redox conditions of recharge waters, cation exchange capacity of the fracture zone and the role of mineral phases such as pyrite, calcite, hematite and goethite. This model could reproduce the measured trends of dissolved species, except for bicarbonate and sulfate which are affected by microbially-mediated processes. In order to explore the role of microbial processes, a coupled numerical model has been constructed which accounts for water flow, reactive transport and microbial processes. The results of this model is presented in this report. This model accounts for groundwater flow and reactive transport in a manner similar to that of /Molinero, 2000/ and extends the preliminary microbial model of /Zhang, 2001/ by accounting for microbially-driven organic matter fermentation and organic matter oxidation. This updated microbial model considers simultaneously the fermentation of particulate organic matter by yeast and the oxidation of dissolved organic matter, a product of fermentation. Dissolved organic matter is produced by yeast and serves also as a substrate for iron-reducing bacteria. Model results reproduce the observed increase in bicarbonate and sulfate concentration, thus adding additional evidence for the possibility of organic matter oxidation as the main source of bicarbonate. Model results indicate that pH and Eh are relatively stable. The dissolution-precipitation trends of hematite, pyrite and calcite also coincide with those indicated by the conceptual model. A thorough sensitivity analysis has been performed for the most relevant microbial parameters as well as for initial and boundary POC and DOC concentrations. The results of such analysis indicate that computed concentrations of bicarbonate, sulfate and DOC are sensitive to most of the microbial parameters, including specific growth rates, half-saturation constants, proportionality coefficients and yield coefficients. Model results, however, are less sensitive to the yield coefficient of DOC to iron-reducer bacteria. The sensitivity analysis indicates that changes in fermentation microbial parameters affect the growth of the iron-reducer, thus confirming the interconnection of both microbial processes. Computed concentrations of bicarbonate and sulfate are found to be sensitive to changes in the initial concentration of POC and the boundary concentration of DOC, but they lack sensitivity to the initial concentration of DOC and the boundary concentration of POC. The explanation for such result is related to the fact that POC has a low mobility due to its large molecular weight. DOC, however, can migrate downwards. Although a coupled hydro-bio-geochemical 1-D model can reproduce the observed ''unexpected'' increase of concentrations of bicarbonate and sulfate at a depth of 70 m, further modeling work is required in order to obtain a similar conclusion under the more realistic two dimensional conditions of the fracture zone.

Samper, Javier; Molinero, Jorg; Changbing, Yang; Zhang, Guoxiang

2003-12-01T23:59:59.000Z

370

Platts 2nd Annual Renewable Chemicals Conference  

Gasoline and Diesel Fuel Update (EIA)

Sugars, Renewable Chemicals & Fuels Sugars, Renewable Chemicals & Fuels US EIA AEO 2013 Biofuels Worshop Washington, DC March 2013 1 * PROMOTUM is a management consulting firm focused on the chemicals, fuels and materials industries. We help clients analyze markets and technology, develop strategy, and conduct business development. 2 1. Comparison of the first wave of Biotechnology with today's wave of Industrial Biotechnology 2. Where are we status of: C-Sugars, Renewable Chemicals & Advanced Biofuels 3. Derivates as chemical building blocks - butanol an example 3 Sugar, Fuel & Chemical Agenda - Where are we? 4 Aggregate Biotechnology Industry Performance - The First 30 Years 5 "There is little doubt that, since the invention of genetic

371

Accelerating technology transfer from federal laboratories to the private sector by industrial R and D collaborations - A new business model  

Science Conference Proceedings (OSTI)

Many important products and technologies were developed in federal laboratories and were driven initially by national needs and for federal applications. For example, the clean room technology that enhanced the growth of the semiconductor industry was developed at Sandia National Laboratories (SNL) decades ago. Similarly, advances in micro-electro-mechanical-systems (MEMS)--an important set of process technologies vital for product miniaturization--are occurring at SNL. Each of the more than 500 federal laboratories in the US, are sources of R and D that contributes to America's economic vitality, productivity growth and, technological innovation. However, only a fraction of the science and technology available at the federal laboratories is being utilized by industry. Also, federal laboratories have not been applying all the business development processes necessary to work effectively with industry in technology commercialization. This paper addresses important factors that federal laboratories, federal agencies, and industry must address to translate these under utilized technologies into profitable products in the industrial sector.

LOMBANA,CESAR A.; ROMIG JR.,ALTON D.; LINTON,JONATHAN D.; MARTINEZ,J. LEONARD

2000-04-13T23:59:59.000Z

372

Development of an Energy Consumption Model at a Multi-Product Chemical Plant  

E-Print Network (OSTI)

A plant-wide energy model is being developed to be used primarily as a planning tool to evaluate the impact of energy conservation projects and plant expansions on the total plant energy balance. Statistical analysis of historical data from each production unit has generated regression equations which correlate the various energy utilities with production rate and other variables. The form of the model varies from unit to unit. Startups, shutdowns, and unit interruptions are simulated using a Monte Carlo technique. In some units, energy consumption does not correlate with production rate, which indicates that energy savings may be possible through better control of energy usage. The model should also lay the framework for an on-line energy management program.

Wyhs, N. A.; Logsdon, J. E.

1980-01-01T23:59:59.000Z

373

Chemically authentic surrogate mixture model for the thermophysical properties of a coal-derived liquid fuel  

Science Conference Proceedings (OSTI)

We developed a surrogate mixture model to represent the physical properties of a coal-derived liquid fuel using only information obtained from a gas chromatography-mass spectrometry analysis of the fuel and a recently developed 'advanced distillation curve'. We then predicted the density, speed of sound, and viscosity of the fuel and compared them to limited experimental data. The surrogate contains five components (n-propylcyclohexane, trans-decalin, {alpha}-methyldecalin, bicyclohexane, and n-hexadecane), yet comparisons to limited experimental data demonstrate that the model is able to represent the density, sound speed, and viscosity to within 1, 4, and 5%, respectively. 102 refs., 2 figs., 5 tabs.

M.L. Huber; E.W. Lemmon; V. Diky; B.L. Smith; T.J. Bruno [National Institute of Standards and Technology (NIST), Boulder, CO (United States). Physical and Chemical Properties Division

2008-09-15T23:59:59.000Z

374

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

DOE Green Energy (OSTI)

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.

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

2008-12-15T23:59:59.000Z

375

Assumptions to the Annual Energy Outlook 2002 - Industrial Demand Module  

Gasoline and Diesel Fuel Update (EIA)

Industrial Demand Module Industrial Demand Module The NEMS Industrial Demand Module estimates energy consumption by energy source (fuels and feedstocks) for 9 manufacturing and 6 nonmanufacturing industries. The manufacturing industries are further subdivided into the energy-intensive manufacturing industries and nonenergy-intensive manufacturing industries. The distinction between the two sets of manufacturing industries pertains to the level of modeling. The manufacturing industries are modeled through the use of a detailed process flow or end use accounting procedure, whereas the nonmanufacturing industries are modeled with substantially less detail (Table 19). The Industrial Demand Module forecasts energy consumption at the four Census region levels; energy consumption at the Census Division level is allocated

376

Using ToxCast ™ to Predict Chemicals Potential for Developmental,  

E-Print Network (OSTI)

Tens of thousands of chemicals are currently in commerce, and hundreds more are introduced every year. Because there are so many chemicals—and since traditional chemical toxicity tests using animals is expensive and time consuming—only a small fraction of chemicals have been fully assessed for potential risk. In 2007, EPA scientists began working on ToxCast, a research project to identify and prioritize potentially toxic chemicals using rapid, automated tests called in vitro assays. ToxCast is currently examining over 1,000 chemicals from a broad range of sources, including pesticides, industrial and consumer products, food additives and failed drugs that were never released to the market. Recently, EPA scientists published papers describing first generation predictive models (see graphic 1 for process of developing models) using ToxCast data. These models show how the ToxCast concept can be used to predict the potential for certain chemicals to be toxic to embryonic development, male and female reproductive function, and vascular development. The models support continued development of this new approach to chemical safety assessment.

Vascular Development Toxicity; Developmental Toxicity

2011-01-01T23:59:59.000Z

377

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

SciTech Connect

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.

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

2005-01-07T23:59:59.000Z

378

Chemical leukoderma  

E-Print Network (OSTI)

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

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

2011-01-01T23:59:59.000Z

379

Industry Profile | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Industry Profile Industry Profile Industry Profile November 1, 2013 - 11:40am Addthis The largest energy consuming industrial sectors account for the largest share of CHP capacity; namely: Chemicals (30%), Petroleum Refining (17%), and Paper Products (14%). Other industrial sectors include: Commercial/Institutional (12%), Food (8%), Primary Metals (5%), Other Manufacturing (8%), and Other Industrial (6%). Combined heat and power (CHP)-sometimes referred to as cogeneration-involves the sequential process of producing and utilizing electricity and thermal energy from a single fuel. CHP is widely recognized to save energy and costs, while reducing carbon dioxide (CO2) and other pollutants. CHP is a realistic, near-term option for large energy efficiency improvements and significant CO2 reductions.

380

Chemical Speciation of Strontium, Americium, and Curium in High Level Waste: Predictive Modeling of Phase Partitioning During Tank Processing  

DOE Green Energy (OSTI)

The objective of this research project is to measure the effects of organic chelate complexation on the speciation and solubility of Sr and trivalent actinides under strongly basic, high carbonate conditions, similar to those present in high- level waste tanks at U.S. Department of Energy storage sites. We proposed, (1) extension to important chelates not previously studied; (2) studies of completing metal ions; and (3) specific studies using Am(III)/Cm(III). The chelate complexation studies would extend our previous research on EDTA, HEDTA, NTA, and IDA to citrate and oxalate. In addition, we propose to address the possible formation of mixed ligand- ligand complexes for Eu(III) in EDTA-HEDTA, EDTA-NTA, HEDTA-NTA, and ligand-carbonate solutions. The fundamental data on chemical speciation and solubility will be used to develop accurate thermodynamic models which are valid to high ionic strength.

CHOPPIN, GREGORY R.

2003-06-01T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

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

DOE Green Energy (OSTI)

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.

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

2011-03-16T23:59:59.000Z

382

Identifying, Indexing, and Ranking Chemical Formulae and Chemical Names in Digital Documents  

Science Conference Proceedings (OSTI)

End-users utilize chemical search engines to search for chemical formulae and chemical names. Chemical search engines identify and index chemical formulae and chemical names appearing in text documents to support efficient search and retrieval in the ... Keywords: Chemical name, chemical formula, conditional random fields, entity extraction, hierarchical text segmentation, independent frequent subsequence, index pruning, query models, ranking, similarity search, support vector machines

Bingjun Sun; Prasenjit Mitra; C. Lee Giles; Karl T. Mueller

2011-04-01T23:59:59.000Z

383

Industry-wide Substation Equipment Performance and Failure Database--Data, Model, and Results--Electronic Media  

Science Conference Proceedings (OSTI)

Industry-wide equipment performance databases (IDBs) are a means for establishing a broad based repository of equipment performance data. With proper care and analysis, these data can provide information about the past performance of equipment groups and subgroups and the factors that influence that performance. With enough data, projections can be made about future performance. Both past and future performance information can be useful for operations, maintenance, and asset management decisions. This ne...

2009-12-23T23:59:59.000Z

384

ET Industries, Inc.  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

ET Industries, Inc. ET Industries, Inc. (showerheads) Issued: May 24, 2013 BEFORE THE U.S. DEPARTMENT OF ENERGY Washington, D.C. 20585 ) ) ) ) ) Case Number: 2012-SE-2902 AMENDED NOTICE OF NONCOMPLIANCE DETERMINATION 1 Manufacturers (including importers) are prohibited from distributing covered products in the United States that do not comply with applicable federal water conservation standards. See 10 C.F.R. §§ 429.5, 429.102; 42 U.S.C. §§ 6291(10), 6302. On April 3, 2012, DOE tested one unit of the "ThunderHead" showerhead basic model ("basic model TH-1 " 2 ), which ET Industries, Inc. ("ET") imported into the United States. On April 24, 2012, DOE completed testing of three additional units of basic model TH-1, also imported into

385

Modeling the chemical kinetics of atmospheric plasma for cell treatment in a liquid solution  

Science Conference Proceedings (OSTI)

Low temperature atmospheric pressure plasmas have been known to be effective for living cell inactivation in a liquid solution but it is not clear yet which species are key factors for the cell treatment. Using a global model, we elucidate the processes through which pH level in the solution is changed from neutral to acidic after plasma exposure and key components with pH and air variation. First, pH level in a liquid solution is changed by He{sup +} and He(2{sup 1}S) radicals. Second, O{sub 3} density decreases as pH level in the solution decreases and air concentration decreases. It can be a method of removing O{sub 3} that causes chest pain and damages lung tissue when the density is very high. H{sub 2}O{sub 2}, HO{sub 2}, and NO radicals are found to be key factors for cell inactivation in the solution with pH and air variation.

Kim, H. Y.; Kang, S. K.; Lee, H. Wk. [Department of Electrical Engineering, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Lee, H. W. [Medipl Corporation, Pohang 790-834 (Korea, Republic of); Kim, G. C. [Medipl Corporation, Pohang 790-834 (Korea, Republic of); Department of Oral Anatomy and Cell Biology, School of Dentistry, Pusan National University, Pusan 602-739 (Korea, Republic of); Lee, J. K. [Department of Electrical Engineering, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of); Medipl Corporation, Pohang 790-834 (Korea, Republic of)

2012-07-15T23:59:59.000Z

386

The Mork Family Department of Chemical  

E-Print Network (OSTI)

CHE The Mork Family Department of Chemical Engineering and Materials Science #12;Chemical engineers design, control and optimize large-scale chemical, physiochemical and biochemical processes in automotive and space-related industries to materials used in the biomedical and electronics elds. Chemical

Rohs, Remo

387

TSCA and the regulation of renewable chemicals  

Science Conference Proceedings (OSTI)

Biobased chemicals represent a multi-billion pound chemical business, and their share of the global chemical industry is expected to grow from 2% to 22% by 2025 TSCA and the regulation of renewable chemicals Publications aocs articles book books c

388

An analysis of cost improvement in chemical process technologies  

DOE Green Energy (OSTI)

Cost improvement -- sometimes called the learning curve or progress curve -- plays a crucial role in the competitiveness of the US chemical industry. More rapid cost improvement for a product results in expanding market share and larger profits. Expectations of rapid cost improvement motivate companies to invest heavily in the development and introduction of new chemical products and processes, even if production from the first pioneer facility is economically marginal. The slope of the learning curve can also indicate whether government support of new chemical processes such as synthetic fuels can be expected to have large social benefits or to simply represent a net loss to the public treasury. Despite the importance of the slope of the learning curve in the chemical process industries (CPI), little analytical investigation has been made into the factors that accelerate or retard cost improvement. This study develops such a model for the CPI. Using information from ten in-depth case studies and a database consisting of year-by-year market histories of 44 chemical products, including organic chemicals, inorganic chemicals, synthetic fibers, and primary metals, the analysis explores the relationships among the rate of learning and characteristics of the technologies, the nature of markets, and management approaches. 78 refs., 8 figs., 15 tabs.

Merrow, E.W.

1989-05-01T23:59:59.000Z

389

Innovative Energy Efficient Industrial Ventilation  

E-Print Network (OSTI)

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 factories, we found striking dichotomy between the classical “static” design of ventilation systems and constantly changing workflow and business demands. Using data from real factories, we are able to prove that classical industrial ventilation design consumes 70 % more energy than necessary. Total potential electricity saving achieved by using on-demand systems instead of classically designed industrial ventilation in the U.S. could be 26 billion kWh. At the average electricity cost of 7 cents per kWh, this would represent $1.875 billion. Eighty such systems are already installed in the USA and European Union.

Litomisky, A.

2005-01-01T23:59:59.000Z

390

Characterization of rocket propellant combustion products. Chemical characterization and computer modeling of the exhaust products from four propellant formulations: Final report, September 23, 1987--April 1, 1990  

SciTech Connect

The overall objective of the work described in this report is four-fold: to (a) develop a standardized and experimentally validated approach to the sampling and chemical and physical characterization of the exhaust products of scaled-down rocket launch motors fired under experimentally controlled conditions at the Army`s Signature Characterization Facility (ASCF) at Redstone Arsenal in Huntsville, Alabama; (b) determine the composition of the exhaust produces; (c) assess the accuracy of a selected existing computer model for predicting the composition of major and minor chemical species; (d) recommended alternations to both the sampling and analysis strategy and the computer model in order to achieve greater congruence between chemical measurements and computer prediction. 34 refs., 2 figs., 35 tabs.

Jenkins, R.A.; Nestor, C.W.; Thompson, C.V.; Gayle, T.M.; Ma, C.Y.; Tomkins, B.A.; Moody, R.L.

1991-12-09T23:59:59.000Z

391

Model Documentation Report: Macroeconomic Activity Module (MAM) of ...  

U.S. Energy Information Administration (EIA)

3. IHS Global Insight’s Industrial Output and Employment by Industry Models Industrial Output Model Overview ...

392

Platform Chemicals from an Oilseed Biorefinery  

Science Conference Proceedings (OSTI)

The US chemical industry is $460 billion in size where a $150 billion segment of which is non-oxygenated chemicals that is sourced today via petroleum but is addressable by a renewable feedstock if one considers a more chemically reduced feedstock such as vegetable oils. Vegetable oil, due to its chemical functionality, provides a largely untapped opportunity as a renewable chemical source to replace petroleum-derived chemicals and produce platform chemicals unavailable today. This project examined the fertile intersection between the rich building blocks provided by vegetable oils and the enhanced chemical modification capability provided by metathesis chemistry. The technology advanced in this study is the process of ethylene cross-metathesis (referred to as ethenolysis) with vegetable oil and vegetable oil derivatives to manufacture the platform-chemical 9-decenoic acid (or 9DA) and olefin co-products. The project team meet its goals of demonstrating improved catalyst efficiencies of several multiples, deepening the mechanistic understanding of metathesis, synthesis and screening of dozens of new catalysts, designing and modeling commercial processes, and estimating production costs. One demonstrable result of the study was a step change improvement in catalyst turnover number in the ethenolysis of methyl oleate as reported here. We met our key measurable of producing 100 lbs of 9DA at the pilot-scale, which demonstrated ability to scale-up ethenolysis. DOE Project funding had significant positive impact on development of metathetically modified vegetable oils more broadly as the Cargill/Materia partnership, that was able to initiate primarily due to DOE funding, has succeeded in commercializing products, validating metathesis as a platform technology, and expanding a diverse products portfolio in high value and in large volume markets. Opportunities have expanded and business development has gained considerable momentum and enabled further expansion of the Materia/Cargill relationship. This project exceeded expectations and is having immediate impact on DOE success by replacing petroleum products with renewables in a large volume application today.

Tupy, Mike; Schrodi Yann

2006-11-06T23:59:59.000Z

393

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

Science Conference Proceedings (OSTI)

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}.

Rothman, A.B.

1996-02-01T23:59:59.000Z

394

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

SciTech Connect

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

Prahl, C.J.

1992-01-01T23:59:59.000Z

395

Industrial cogeneration optimization program  

SciTech Connect

The purpose of this program was to identify up to 10 good near-term opportunities for cogeneration in 5 major energy-consuming industries which produce food, textiles, paper, chemicals, and refined petroleum; select, characterize, and optimize cogeneration systems for these identified opportunities to achieve maximum energy savings for minimum investment using currently available components of cogenerating systems; and to identify technical, institutional, and regulatory obstacles hindering the use of industrial cogeneration systems. The analysis methods used and results obtained are described. Plants with fuel demands from 100,000 Btu/h to 3 x 10/sup 6/ Btu/h were considered. It was concluded that the major impediments to industrial cogeneration are financial, e.g., high capital investment and high charges by electric utilities during short-term cogeneration facility outages. In the plants considered an average energy savings from cogeneration of 15 to 18% compared to separate generation of process steam and electric power was calculated. On a national basis for the 5 industries considered, this extrapolates to saving 1.3 to 1.6 quads per yr or between 630,000 to 750,000 bbl/d of oil. Properly applied, federal activity can do much to realize a substantial fraction of this potential by lowering the barriers to cogeneration and by stimulating wider implementation of this technology. (LCL)

1980-01-01T23:59:59.000Z

396

A smooth transition from serial to parallel processing in the industrial petroleum system modeling package PetroMod  

Science Conference Proceedings (OSTI)

Petroleum system modeling is a crucial technology to numerically simulate the generation, migration, accumulation, and loss of oil and gas through geologic time. The OpenMP programming paradigm is used to achieve modest parallelism on a shared-memory ... Keywords: Monte Carlo, OpenMP, Parallel computing, Petroleum system modeling, Shared-memory parallelization

H. Martin Bücker; Armin I. Kauerauf; Arno Rasch

2008-11-01T23:59:59.000Z

397

Environment/Health/Safety/Security (EHSS): Industrial Hygiene...  

NLE Websites -- All DOE Office Websites (Extended Search)

Associate Construction Health Support Daniel Best Tel: 486-7246 Industrial Hygienist Welding Heat Stress Thermometer Exchange Chemical Management System EETD Rob Connelly Tel:...

398

Energy Efficiency Improvement in the Petroleum Refining Industry  

E-Print Network (OSTI)

Opportunities for Petroleum Refineries. An ENERGY STAR®and the chemical industry. Refineries spend typically 50% ofStates. Typically, refineries can economically improve

Worrell, Ernst; Galitsky, Christina

2005-01-01T23:59:59.000Z

399

Associations and Industry - TMS  

Science Conference Proceedings (OSTI)

... Associations and Industry, Research Programs, ==== Basic Metallurgy ==== ... FORUMS > ASSOCIATIONS AND INDUSTRY, Replies, Views, Originator, Last ...

400

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

Science Conference Proceedings (OSTI)

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.

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

2010-09-30T23:59:59.000Z

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


401

A techno-economic model for determining the critical energy ratio of co-generation in process industries  

Science Conference Proceedings (OSTI)

A techno-economic model incorporating various operating parameters namely, cogeneration technology, primary process, thermodynamic efficiency, capital investment and interest rate has been developed and analysed to arrive at the optimum energy index ...

V. N. Vedamurthy; C. P. Sarathy

1990-12-01T23:59:59.000Z

402

A comparative study of Lotka-Volterra and system dynamics models for simulation of technology industry dynamics  

E-Print Network (OSTI)

Scholars have developed a range of qualitative and quantitative models for generalizing the dynamics of technological innovation and identifying patterns of competition between rivals. This thesis compares two predominant ...

Ünver, Hakk? Özgür

2008-01-01T23:59:59.000Z

403

"Nanotechnology Enabled Advanced Industrial Heat Transfer Fluids"  

DOE Green Energy (OSTI)

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

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

2008-06-12T23:59:59.000Z

404

Subsurface flow and transport of organic chemicals: an assessment of current modeling capability and priority directions for future research (1987-1995)  

SciTech Connect

Theoretical and computer modeling capability for assessing the subsurface movement and fate of organic contaminants in groundwater was examined. Hence, this study is particularly concerned with energy-related, organic compounds that could enter a subsurface environment and move as components of a liquid phase separate from groundwater. The migration of organic chemicals that exist in an aqueous dissolved state is certainly a part of this more general scenario. However, modeling of the transport of chemicals in aqueous solution has already been the subject of several reviews. Hence, this study emphasizes the multiphase scenario. This study was initiated to focus on the important physicochemical processes that control the behavior of organic substances in groundwater systems, to evaluate the theory describing these processes, and to search for and evaluate computer codes that implement models that correctly conceptualize the problem situation. This study is not a code inventory, and no effort was made to identify every available code capable of representing a particular process.

Streile, G.P.; Simmons, C.S.

1986-09-01T23:59:59.000Z

405

Devices for collecting chemical compounds  

SciTech Connect

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.

Scott, Jill R; Groenewold, Gary S

2013-12-24T23:59:59.000Z

406

Industrial alliances  

Science Conference Proceedings (OSTI)

The United States is emerging from the Cold War era into an exciting, but challenging future. Improving the economic competitiveness of our Nation is essential both for improving the quality of life in the United States and maintaining a strong national security. The research and technical skills used to maintain a leading edge in defense and energy now should be used to help meet the challenge of maintaining, regaining, and establishing US leadership in industrial technologies. Companies recognize that success in the world marketplace depends on products that are at the leading edge of technology, with competitive cost, quality, and performance. Los Alamos National Laboratory and its Industrial Partnership Center (IPC) has the strategic goal to make a strong contribution to the nation`s economic competitiveness by leveraging the government`s investment at the Laboratory: personnel, infrastructure, and technological expertise.

Adams, K.V.

1993-09-13T23:59:59.000Z

407

Macro-Industrial Working Group 2  

Gasoline and Diesel Fuel Update (EIA)

Peter Gross Peter Gross Office of Energy Consumption and Efficiency Analysis, EIA March 20, 2013 | Washington, DC Chemicals Production in the Annual Energy Outlook Model Current representation of chemicals in the AEO 2 * Baseline fuel & feedstock consumption data (MECS) * Fuel & feedstock projections - Macroeconomic driven: chemical shipments/production - Feedstock price determinants (NGL vs. naphtha) are employed - Ethane consumption = ethane supply - Heat & power efficiency improvements * Macroeconomic chemical drivers: bulk chemicals (organic, inorganic, resins, agricultural chemicals), other chemicals (pharma, paints, soaps) - Bulk chemical shipments influenced by fuel prices - No explicit assumptions about origins of chemicals (petroleum vs. biobased)

408

Climate VISION: Private Sector Initiatives: Chemical Manufacturing:  

Office of Scientific and Technical Information (OSTI)

Resources & Links Resources & Links Technical Information Publications Case Studies CD-ROMs Publications The following publications are available for download as Adobe PDF documents. Download Acrobat Reader. Chemicals Annual Report (PDF 509 KB) This report provides a summary of activities and R&D projects in fiscal year 2004. Order the Annual Report from the ITP Clearinghouse at 1-800-862-2086. Chemical Industry of the Future Tools & Publications The Industrial Technologies Program offers a wide array of publications, videos, software, and other information products for improving energy efficiency in the chemical industry. Chemical Bandwidth Study Analyzes Energy Savings Opportunities ITP's Chemicals portfolio works with the chemical industry to develop energy-efficient technologies. Read this report (PDF 1.16 MB)

409

ET Industries: Order (2012-SE-2902)  

Energy.gov (U.S. Department of Energy (DOE))

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

410

Fate and Exposure Modeling of Environmental Contaminants  

NLE Websites -- All DOE Office Websites (Extended Search)

Fate and Exposure Modeling of Environmental Contaminants Fate and Exposure Modeling of Environmental Contaminants Speaker(s): Mathew MacLeod Date: June 29, 2004 - 12:00pm Location: Bldg. 90 Seminar Host/Point of Contact: Thomas McKone Chemical products pervade modern society, and furnish unprecedented wealth and comfort to citizens of countries with industrialized economies. Demand for products such as pesticides, industrial chemicals, flame-retardants and additives for consumer products requires large scale production and distribution of these chemicals, and they are inevitably released into the environment. Responsible management of chemicals therefore requires a quantitative understanding of amounts released, how the chemicals partition and travel in the environment, and how they might expose and thus adversely affect human and ecological populations. This

411

INDUSTRIAL ASSOCIATESHIP SCHEME Centre for Industrial Consultancy and Sponsored Research  

E-Print Network (OSTI)

) Refrigeration Industry (1994) Advances in Electrical Power Systems (1994) Photovoltaics for Terrestrial and Space Applications (1996) Plate Heat Exchangers: The New Wave (1996) Refrigeration under Cryogenic of Manufacturing Process Through ASP Model (2002) (v) Manufacturing Artificial Intelligence based Mechanical Design

Bhashyam, Srikrishna

412

Dynamics of the UK Natural Gas Industry: System Dynamics Modelling and Long-Term Energy Policy Analysis  

E-Print Network (OSTI)

case of indigenous UK gas production. Firstly, the structure of Naill’s model (1973) implies that production rate equals usage rate, modified by price. We find this assumption to be unrealistic in our case and therefore we explicitly model... considerably over the time horizon. In the initial period of introduction of gas usage in UK 1965-1974 average annual growth rate was 48%; in the period 1975-1984 average growth rate was 3.31%; in the period 1985-1995 average growth rate was 3%; in the period...

Chi, K C; Reiner, David; Nuttall, William J

413

Physical and Chemical Applications  

NLE Websites -- All DOE Office Websites (Extended Search)

data image data image Physical and Chemical Applications Research in this area includes: Chemical analysis (femtosecond laser ablation). Advanced sensors (laser ultrasonics). Advanced materials and nanotechnology for clean energy- hydrogen storage, nanostructured organic light-emitting diodes, nanowires, and nanoparticles). Photons to fuels (biosynthetic pathways for generating hydrocarbon biofuels in photosynthetic organisms). Advanced Sensor Development Sensor-based control of industrial processes can help companies: Decrease production costs; Reduce waste of raw materials on manufacturing lines; Lower manufacturing downtime from equipment maintenance; Increase the energy efficiency of manufacturing processes; Detect equipment failure early, before it becomes a major liability;

414

Transforming the Freight Industry  

E-Print Network (OSTI)

Transforming the Freight Industry From Regulation to Icommon-carrier freight industry was Competition to backwardjourneys. When the freight industry was deregulated, it was

Regan, Amelia

2002-01-01T23:59:59.000Z

415

Demographics and industry returns  

E-Print Network (OSTI)

Demographics and Industry Returns By Stefano DellaVigna andand returns across industries. Cohort size fluc- tuationspredict profitability by industry. Moreover, forecast demand

Pollet, Joshua A.; DellaVigna, Stefano

2007-01-01T23:59:59.000Z

416

Biomass for the Dutch Chemical Opportunities for agriculture  

E-Print Network (OSTI)

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

Grossmann, Ignacio E.

417

Mathematical Modeling of Perfect Decoupled Control System and Its Application: A Reverse Osmosis Desalination Industrial-Scale Unit  

E-Print Network (OSTI)

This short paper outlines the computer simulation using real data of a decoupled control system for a desalination unit. The control strategy incorporated a perfect decoupled controller for the control of the fresh water flow and conductivity. The model was estimated using real data and empirical tools instead of mass balances. The success is demonstrated in the reduction of wide fluctuations in the variables of the process and decreasing of the sensibility to the changes of pressure and/or pH and allows predicting problems of quality of water and waste of energy in the future. 1.

C. Riverol; V. Pilipovik

2004-01-01T23:59:59.000Z

418

Biomonitoring for the photovoltaics industry  

DOE Green Energy (OSTI)

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.

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

1995-07-01T23:59:59.000Z

419

Industrial ecology Prosperity Game{trademark}  

SciTech Connect

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.

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

1998-03-01T23:59:59.000Z

420

Industry Perspective  

NLE Websites -- All DOE Office Websites (Extended Search)

idatech.com idatech.com info@idatech.com 63065 NE 18 th Street Bend, OR 97701 541.383.3390 Industry Perspective Biogas and Fuel Cell Workshop National Renewable Energy Laboratory June 11 - 13, 2012 Mike Hicks Chairman of the Board of Directors, FCHEA Treasurer of the Board of Directors, FCS&E Engineering Manager, Technology Development & Integration, IdaTech Outline 1. Critical Factors * Fuel Purity * Fuel Cost 2. Natural Gas - The Wild Card & Competition 3. IdaTech's Experience Implementing Biofuel Critical Factor - Fuel Purity All fuel cell system OEMs have fuel purity specifications * Independent of * Raw materials or feed stocks * Manufacturing process * Depends on * Fuel processor technology * Fuel cell technology - low temp PEM versus SOFC

Note: This page contains sample records for the topic "industrial chemical model" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Evolution of industrial automation  

Science Conference Proceedings (OSTI)

Automation has been of high priority for the manufacturing sector, from Ford's first set of Model-T Assembly lines in the early 1920s to the modern factory floor. With appropriate automation, the aim was to rationalise the production and keep ... Keywords: Ethernet, architecture, automated manufacturing, bus topology, control servers, distributed control, economies of scale, embedded intelligence, functionality, fuzzy logic, global village, graphic panel, industrial automation, networking, networks

R. Murugesan

2006-03-01T23:59:59.000Z

422

Chemical Science  

NLE Websites -- All DOE Office Websites (Extended Search)

reactor concept for deep space exploration Research directions Weapons chemistry and nuclear performance Radiological, nuclear, and chemical signatures Energy production,...

423

Chemical Science | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

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

424

Numerical investigation of the pulsed NF3 + H2 chemical laser using a model which includes rotational relaxation and semi-classical laser equations  

DOE Green Energy (OSTI)

Waveforms and population distributions have been calculated by a numerical model and compared with experiment for an electric-discharge-initiated, pulsed NF$sub 3$ + H$sub 2$ chemical laser. The model treats each vibrational- rotational state separately, allowing rotational relaxation between adjacent states as well as vibrational relaxation and lasing according to P-branch selection rules. Calculated waveforms agree with experiment and show several features not seen when rotational equilibrium is assumed: simultaneous lasing on many transitions, cascade behavior, spikes due to laser relaxation oscillations, non-Boltzmann rotational distributions, and ''hole burning'' in the population distributions. The calculations give insight into the physical phenomena governing the shape and duration of the waveforms. The effect of varying certain parameters, relaxation rates, temperature, pressure, and diluents, is studied. Best fit to experimental waveforms is obtained when the rotational relaxation rate and collisional line broadening rate are approximately equal at about 10 times the hard sphere collision rate. The IXION computer code, developed for these calculations, is described in detail. In addition, an analytic model is presented which accounts for major features of the total (all transitions) output waveform of the laser assuming rotational equilibrium, a steady state laser model, and constant temperature. A second computer code, MINOTAR, was developed as a general purpose chemical kinetics code. It verifies the analytic model and extends the results to adiabatic reactions where the temperature varies, and can yield waveforms using the assumptions of rotational equilibrium and a steady state laser. The MINOTAR code, being general, can also be used for chemical kinetics problems such as air pollution and combustion. (auth)

Creighton, J.R.

1975-09-01T23:59:59.000Z

425

Numerical investigation of the pulsed NF3 + H2 chemical laser using a model which includes rotational relaxation and semi-classical laser equations  

SciTech Connect

Waveforms and population distributions have been calculated by a numerical model and compared with experiment for an electric-discharge-initiated, pulsed NF$sub 3$ + H$sub 2$ chemical laser. The model treats each vibrational- rotational state separately, allowing rotational relaxation between adjacent states as well as vibrational relaxation and lasing according to P-branch selection rules. Calculated waveforms agree with experiment and show several features not seen when rotational equilibrium is assumed: simultaneous lasing on many transitions, cascade behavior, spikes due to laser relaxation oscillations, non-Boltzmann rotational distributions, and ''hole burning'' in the population distributions. The calculations give insight into the physical phenomena governing the shape and duration of the waveforms. The effect of varying certain parameters, relaxation rates, temperature, pressure, and diluents, is studied. Best fit to experimental waveforms is obtained when the rotational relaxation rate and collisional line broadening rate are approximately equal at about 10 times the hard sphere collision rate. The IXION computer code, developed for these calculations, is described in detail. In addition, an analytic model is presented which accounts for major features of the total (all transitions) output waveform of the laser assuming rotational equilibrium, a steady state laser model, and constant temperature. A second computer code, MINOTAR, was developed as a general purpose chemical kinetics code. It verifies the analytic model and extends the results to adiabatic reactions where the temperature varies, and can yield waveforms using the assumptions of rotational equilibrium and a steady state laser. The MINOTAR code, being general, can also be used for chemical kinetics problems such as air pollution and combustion. (auth)

Creighton, J.R.

1975-09-01T23:59:59.000Z

426

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

SciTech Connect

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

Liang Sai [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); Zhang, Tianzhu, E-mail: zhangtz@mail.tsinghua.edu.cn [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); Xu Yijian [School of Environment, State Key Joint Laboratory of Environment Simulation and Pollution Control, Tsinghua University, Beijing 100084 (China); China Academy of Urban Planning and Design, Beijing 100037 (China)

2012-03-15T23:59:59.000Z

427

Office of Industrial Technologies: Industry partnerships  

SciTech Connect

US industries are making progress in turning the vision of the future into reality: More effective competition in global markets, increased industrial efficiency, more jobs, reduced waste generation and greenhouse gas emissions (to 1990 levels), improved environment. DOE`s Office of Industrial Technologies is catalyzing and supporting industry progress in many ways. This pamphlet gives an overview of OIT.

1995-04-01T23:59:59.000Z

428

The Analysis and Development of Large Industrial Steam Systems  

E-Print Network (OSTI)

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 working fluid has fostered and perpetuated this dependency throughout industrial history. Many large process operations, however, have not developed their steam systems to keep pace with rapidly changing energy economics. As a result, the use of steam on industrial plants seldom approaches the optimum levels of first or second law efficiency. At each of many industrial complexes today, tens of millions of energy dollars per year are literally wasted. This paper describes some case histories comparing actual and optimum steam system configurations, and operational concepts. Highly effective steam system analytical techniques developed and used by the author are discussed. These include "energy level" mass balancing; the "three-branch" thermodynamic system; and powerful sophisticated digital computer steam system models. These latter are really "working models" on which development options can be tried and actively evaluated for economic and technical feasibility. The principal of steam as a plant-wide integrating energy system is explained and demonstrated with examples. These show how a properly structured and effectively operated steam system can increase operational flexibility and facilitate the practical implementation of many energy conservation opportunities in process and plant service areas.

Waterland, A. F.

1980-01-01T23:59:59.000Z

429

Climate VISION: Private Sector Initiatives: Chemical Manufacturing:  

Office of Scientific and Technical Information (OSTI)

Federal/State Programs Federal/State Programs DOE Chemical Industry of the Future The DOE Chemical Industry of the Future program is a set of collaborative R&D partnerships between DOE Industrial Technologies Program and industry to maximize technology investments. Texas Industries of the Future The Texas Industries of the Future program facilitates the development, demonstration and adoption of advanced technologies and adoption of best practices that reduce industrial energy usage, emissions, and associated costs, resulting in improved competitive performance. See all Federal/State Programs DOE State Activities For information on activities, financial assistance, and solicitations within your state, please refer to the DOE Office of Energy Efficiency and Renewable Energy State Specific Information website.

430

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

Open Energy Info (EERE)

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

431

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

DOE Green Energy (OSTI)

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.

Som, S; Longman, D. E.; Luo, Z; Plomer, M; Lu, T; Senecal, P.K.; Pomraning, E (Energy Systems); (Univ. of Connecticut); (CONVERGENT Science)

2012-01-01T23:59:59.000Z

432

Industrial Carbon Capture Project Selections  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

(Partner Organizations) Funding Lead Organization Location (City, State) Project Title - Project Description 1) Large Scale Testing of Advanced Gasification Technologies Air Products & Chemicals, Inc. $71,700,000 Allentown, PA Development of ITM Oxygen Technology for Integration with Advanced Industrial Systems Air Products will accelerate commercial manufacture of ion transport membranes modules and initiate the development a 2,000 TPD pre- commercial scale facility ahead of schedule, enabling this technology

433

Continuum and Quantum-Chemical Modeling of Oxygen Reduction on the Cathode in a Solid Oxide Fuel Cell  

DOE Green Energy (OSTI)

Solid oxide fuel cells (SOFCs) have several advantages over other types of fuels cells such as high-energy efficiency and excellent fuel flexibility. To be economically competitive, however, new materials with extraordinary transport and catalytic properties must be developed to dramatically improve the performance while reducing the cost. This article reviews recent advancements in understanding oxygen reduction on various cathode materials using phenomenological and quantum chemical approaches in order to develop novel cathode materials with high catalytic activity toward oxygen reduction. We summarize a variety of results relevant to understanding the interactions between O2 and cathode materials at the molecular level as predicted using quantum-chemical cal-culations and probed using in situ surface vibrational spectroscopy. It is hoped that this in-depth understanding may provide useful insights into the design of novel cath-ode materials for a new generation of SOFCs.

Choi, Yongman; Mebane, David S.; Wang, Jeng-Han; Liu, Meilin

2009-10-08T23:59:59.000Z

434

STATEMENT OF CONSIDERATIONS REQUEST BY THE DOW CHEMICAL COMPANY...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

under the above referenced cooperative agreement entitled "In Situ Analysis for the Chemical Industry." The Petitioner will be partnering with two small business companies,...

435

Hot Wire Chemical Vapor Deposition with Carbide Filaments ...  

Many of the current industry cells in production have come through NREL, ... One deposition technology utilized at NREL deals with hot wire chemical ...

436

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

E-Print Network (OSTI)

Leonhard (eds. ), Energy Efficiency Improvements in ElectricC. Moore, 1997. “Energy Efficiency and Advanced TechnologiesSummer Study on Energy Efficiency in Industry, Washington,

Xu, T.T.

2011-01-01T23:59:59.000Z

437

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

SciTech Connect

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.)

Not Available

1993-10-01T23:59:59.000Z

438

China's Top-1000 Energy-Consuming Enterprises Program: Reducing Energy Consumption of the 1000 Largest Industrial Enterprises in China  

E-Print Network (OSTI)

Pilot Project with the Steel Industry in Shandong Province,data required for the steel industry included total primaryThe iron and steel and chemical industries dominate in terms

Price, Lynn

2008-01-01T23:59:59.000Z

439

Test bench for studying the outlook for industrial applications of an oxygen-iodine laser  

Science Conference Proceedings (OSTI)

We report the development and tests of a chemical oxygen-iodine laser test bench based on a twisted-aerosol-flow singlet-oxygen generator and a supersonic laser model for studying the outlook for industrial applications of this laser. The maximal output power of the laser is {approx}65 kW (the average power is {approx}50 kW), corresponding to a specific output power of {approx}110 W cm{sup -2}. The maximal chemical efficiency is {approx}34%. (letters)

Adamenkov, A A; Bakshin, V V; Bogachev, A V; Buryak, E V; Vdovkin, L A; Velikanov, S D; Vyskubenko, B A; Garanin, Sergey G; Gorbacheva, E V; Grigorovich, Sergei V; Il'in, S P; Il'kaev, R I; Ilyushin, Yurii N; Kalashnik, A M; Kolobyanin, Yu V; Leonov, M L; Svischev, V V; Troshkin, M V [Russian Federal Nuclear Center 'All-Russian Scientific Research Institute of Experimental Physics', Sarov, Nizhnii Novgorod Region (Russian Federation)

2007-07-31T23:59:59.000Z

440

Chemical microsensors  

DOE Patents (OSTI)

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

Li, DeQuan (Los Alamos, NM); Swanson, Basil I. (Los Alamos, NM)

1995-01-01T23:59:59.000Z

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441

Computational approaches to the chemical conversion of carbon dioxide  

Science Conference Proceedings (OSTI)

The conversion of CO2 into fuels and chemicals is viewed as an attractive route for controlling the atmospheric concentration of this greenhouse gas and recycling it, but its industrial application is limited by the low selectivity and activity of the current catalysts. Theoretical modeling, in particular density-functional theory (DFT) simulations, provides a powerful and effective tool to discover chemical reaction mechanisms and design new catalysts for the chemical conversion of CO2, overcoming the repetitious and time/labor consuming trial-and-error experimental processes. In this article we give a comprehensive survey of recent advances on mechanism determination by DFT calculations for the catalytic hydrogenation of CO2 into CO, CH4, CH3OH, and HCOOH, and CO2 methanation, as well as the photo- and electrochemical reduction of CO2. DFT-guided design procedures of new catalytic systems are also reviewed, and challenges and perspectives in this field are outlined.

Cheng, Daojian; Negreiros, Fabio R.; Apra, Edoardo; Fortunelli, Alessandro

2013-06-01T23:59:59.000Z

442

Simulated Annealing For The Optimization Of Chemical Batch Production Processes  

E-Print Network (OSTI)

Batch distillation processes are widely used in chemical industry. In this work, we consider the optimization of such processes by simulated annealing. Although this method is stochastically in nature, it has two evitable advantages: it can be readily connected to highly sophisticated simulation codes and it converges towards a global optimum. According to the characteristics of batch distillation operation we propose to use a two-step computation approach. A feasible strategy (admissible control) will be searched for in the first step and it will be optimized in the second step. The approach has been applied to three models of batch distillation ranging from a simple test example to a real production system. These results show the potential of the method for developing optimal operation strategies for batch chemical processes. Keywords: batch distillation, simulated annealing, dynamic optimization. 1 Introduction The determination of optimal control strategies for chemical processe...

Michael Hanke; Pu Li

1998-01-01T23:59:59.000Z