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Molecular Simulation Volume 32, 2006 - Issue 1
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Original Articles

Molecular dynamics simulation of Henry's constant of argon, nitrogen, methane and oxygen in ethylene oxide

M. Krishnamurthy University of Illinois at Chicago, Chemical Engineering Department, Chicago, IL, 60607, USA
,
S. Murad University of Illinois at Chicago, Chemical Engineering Department, Chicago, IL, 60607, USACorrespondence[email protected]
&
J. D. Olson The Dow Chemical Company, South Charleston, WV, 25303, USA
Pages 11-16 | Received 01 Jan 2006, Published online: 20 Nov 2006

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Priyanka Oroskar, Cynthia J. Jameson & Sohail Murad. (2017) Molecular dynamics simulations reveal how characteristics of surface and permeant affect permeation events at the surface of soft matter. Molecular Simulation 43:5-6, pages 439-466.
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Huajun Yuan, Cynthia J. Jameson & Sohail Murad. (2010) Diffusion of gases across lipid membranes with OmpA channel: a molecular dynamics study. Molecular Physics 108:12, pages 1569-1581.
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Huajun Yuan, Cynthia J. Jameson & Sohail Murad. (2009) Exploring gas permeability of lipid membranes using coarse-grained molecular dynamics. Molecular Simulation 35:10-11, pages 953-961.
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Articles from other publishers (18)

Juncheng Guo, Guillaume Galliero & Romain Vermorel. (2023) From molecular sieving to gas effusion through nanoporous 2D graphenes: Comparison between analytical predictions and molecular simulations. The Journal of Chemical Physics 159:8.
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Rui Cui, Shanlong Li, Chunyang Yu, Yuling Wang & Yongfeng Zhou. (2022) Understanding the mechanism of nitrogen transport in the perfluorinated sulfonic-acid hydrated membranes via molecular dynamics simulations. Journal of Membrane Science 648, pages 120328.
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Li Qiao, Shourya Jain & Guiyuan Mo. 2020. High-Pressure Flows for Propulsion Applications. High-Pressure Flows for Propulsion Applications 409 460 .
Kisoo Yoo, Aniruddha M. Dive, Saeed Kazemiabnavi, Soumik Banerjee & Prashanta Dutta. (2016) Effects of Operating Temperature on the Electrical Performance of a Li-air Battery operated with Ionic Liquid Electrolyte. Electrochimica Acta 194, pages 317-329.
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Masturi & Sunarno. (2015) Estimation of Van der Waals Interaction Using FTIR Spectroscopy. Advanced Materials Research 1123, pages 61-64.
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Shuai Ban, Cheng Huang, Xiao-Zi Yuan & Haijiang Wang. (2012) Molecular Simulation of Gas Transport in Hydrated Nafion Membranes: Influence of Aqueous Nanostructure. The Journal of Physical Chemistry C 116:33, pages 17424-17430.
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Shuai Ban, Cheng Huang, Xiao-Zi Yuan & Haijiang Wang. (2011) Molecular Simulation of Gas Adsorption, Diffusion, and Permeation in Hydrated Nafion Membranes. The Journal of Physical Chemistry B 115:39, pages 11352-11358.
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Masturi, Mikrajuddin Abdullah & Khairurrijal. (2011) High compressive strength of home waste and polyvinyl acetate composites containing silica nanoparticle filler. Journal of Material Cycles and Waste Management 13:3, pages 225-231.
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Huajun Yuan, Christopher Gosling, Peter Kokayeff & Sohail Murad. (2010) Prediction of hydrogen solubility in heavy hydrocarbons over a range of temperatures and pressures using molecular dynamics simulations. Fluid Phase Equilibria 299:1, pages 94-101.
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Jadran Vrabec, Yow-lin Huang & Hans Hasse. (2009) Molecular models for 267 binary mixtures validated by vapor–liquid equilibria: A systematic approach. Fluid Phase Equilibria 279:2, pages 120-135.
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Muhammad Shadman, Saeed Yeganegi & Farhood Ziaie. (2009) Ab initio interaction potential of methane and nitrogen. Chemical Physics Letters 467:4-6, pages 237-242.
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Xiaofeng Li, Lifeng Zhao, Tao Cheng, Lianchi Liu & Huai Sun. (2008) One force field for predicting multiple thermodynamic properties of liquid and vapor ethylene oxide. Fluid Phase Equilibria 274:1-2, pages 36-43.
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Fiona H. Case, John Brennan, Anne Chaka, Kerwin D. Dobbs, Daniel G. Friend, Peter A. Gordon, Jonathan D. Moore, Raymond D. Mountain, James D. Olson, Richard B. Ross, Martin Schiller, Vincent K. Shen & Eric A. Stahlberg. (2008) The fourth industrial fluid properties simulation challenge. Fluid Phase Equilibria 274:1-2, pages 2-9.
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Huajun Yuan, Cynthia J. Jameson, Sumnesh K. Gupta, James D. Olson & Sohail Murad. (2008) Prediction of Henry's constants of xenon in cyclo-alkanes from molecular dynamics simulations. Fluid Phase Equilibria 269:1-2, pages 73-79.
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J. Carrero-Mantilla. (2008) Simulation of the (vapor+liquid) equilibria of binary mixtures of benzene, cyclohexane, and hydrogen. The Journal of Chemical Thermodynamics 40:2, pages 271-283.
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Thorsten Schnabel, Jadran Vrabec & Hans Hasse. (2008) Molecular simulation study of hydrogen bonding mixtures and new molecular models for mono- and dimethylamine. Fluid Phase Equilibria 263:2, pages 144-159.
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Huajun Yuan, Sohail Murad, Cynthia J. Jameson & James D. Olson. (2007) Molecular Dynamics Simulations of Xe Chemical Shifts and Solubility in n -Alkanes . The Journal of Physical Chemistry C 111:43, pages 15771-15783.
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Rui Cui, Shanlong Li, Chunyang Yu, Yuling Wang & Yongfeng Zhou. (2021) Understanding the Mechanism of Nitrogen Transport in the Perfluorinated Sulfonic-Acid Hydrated Membranes <i>Via</i> Molecular Dynamics Simulations. SSRN Electronic Journal.
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