Computational investigation of thermal gas separation for CO2 capture.

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This report summarizes the work completed under the Laboratory Directed Research and Development (LDRD) project 09-1351, 'Computational Investigation of Thermal Gas Separation for CO{sub 2} Capture'. Thermal gas separation for a binary mixture of carbon dioxide and nitrogen is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Molecular models for nitrogen and carbon dioxide are developed, implemented, compared to theoretical results, and compared to several experimental thermophysical properties. The molecular models include three translational modes, two fully excited rotational modes, and vibrational modes, whose degree of excitation depends on the temperature. Nitrogen has one vibrational ... continued below

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28 p.

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Gallis, Michail A.; Bryan, Charles R.; Brady, Patrick Vane; Torczynski, John Robert & Brooks, Carlton, F. September 1, 2009.

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Description

This report summarizes the work completed under the Laboratory Directed Research and Development (LDRD) project 09-1351, 'Computational Investigation of Thermal Gas Separation for CO{sub 2} Capture'. Thermal gas separation for a binary mixture of carbon dioxide and nitrogen is investigated using the Direct Simulation Monte Carlo (DSMC) method of molecular gas dynamics. Molecular models for nitrogen and carbon dioxide are developed, implemented, compared to theoretical results, and compared to several experimental thermophysical properties. The molecular models include three translational modes, two fully excited rotational modes, and vibrational modes, whose degree of excitation depends on the temperature. Nitrogen has one vibrational mode, and carbon dioxide has four vibrational modes (two of which are degenerate). These models are used to perform a parameter study for mixtures of carbon dioxide and nitrogen confined between parallel walls over realistic ranges of gas temperatures and nominal concentrations of carbon dioxide. The degree of thermal separation predicted by DSMC is slightly higher than experimental values and is sensitive to the details of the molecular models.

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28 p.

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  • Report No.: SAND2009-5705
  • Grant Number: AC04-94AL85000
  • DOI: 10.2172/972886 | External Link
  • Office of Scientific & Technical Information Report Number: 972886
  • Archival Resource Key: ark:/67531/metadc934374

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  • September 1, 2009

Added to The UNT Digital Library

  • Nov. 13, 2016, 7:26 p.m.

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  • Nov. 23, 2016, 11:15 a.m.

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Gallis, Michail A.; Bryan, Charles R.; Brady, Patrick Vane; Torczynski, John Robert & Brooks, Carlton, F. Computational investigation of thermal gas separation for CO2 capture., report, September 1, 2009; United States. (digital.library.unt.edu/ark:/67531/metadc934374/: accessed December 13, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.