Computational Chemistry and Reaction Engineering Workbench

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Description

The chemical process industries are among the most energy intensive in the US. While much of the energy use cannot be avoided, (e.g., feedstock energy or separations costs), there are tremendous gains to be had through simulation-based optimizations. The heart of any chemical operation is the chemical reactor and it is here that gains can be made either directly (e.g., reduced heat flux) or indirectly (e.g., reduced downstream separations cost due to more efficient reactor design). The objective of this project was to develop an integrated suite of software to facilitate the simulation and optimization of chemical reactors. In the ... continued below

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Mckinnon, J. Thomas December 19, 2003.

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Description

The chemical process industries are among the most energy intensive in the US. While much of the energy use cannot be avoided, (e.g., feedstock energy or separations costs), there are tremendous gains to be had through simulation-based optimizations. The heart of any chemical operation is the chemical reactor and it is here that gains can be made either directly (e.g., reduced heat flux) or indirectly (e.g., reduced downstream separations cost due to more efficient reactor design). The objective of this project was to develop an integrated suite of software to facilitate the simulation and optimization of chemical reactors. In the phase of the project supported by this grant, we focused specifically on gas-phase chemical processes such as combustion and pyrolysis.

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OSTI as DE00820562

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  • Other Information: PBD: 19 Dec 2003

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  • Report No.: DOE/CH/11021
  • Grant Number: FC07-00CH11021
  • DOI: 10.2172/820562 | External Link
  • Office of Scientific & Technical Information Report Number: 820562
  • Archival Resource Key: ark:/67531/metadc733885

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Office of Scientific & Technical Information Technical Reports

Reports, articles and other documents harvested from the Office of Scientific and Technical Information.

Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.

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  • December 19, 2003

Added to The UNT Digital Library

  • Oct. 18, 2015, 6:40 p.m.

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  • Jan. 3, 2017, 6:37 p.m.

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Mckinnon, J. Thomas. Computational Chemistry and Reaction Engineering Workbench, report, December 19, 2003; United States. (digital.library.unt.edu/ark:/67531/metadc733885/: accessed December 15, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.