Vapor-liquid equilibria of hydrogen chloride, phosgene, benzene, chlorobenzene, ortho-dichlorobenzene, and toluene by molecular simulation

AIChE Journal ◽  
2010 ◽  
Vol 57 (4) ◽  
pp. 1043-1060 ◽  
Author(s):  
Yow-Lin Huang ◽  
Manfred Heilig ◽  
Hans Hasse ◽  
Jadran Vrabec
Keyword(s):  
Hydrogen Chloride ◽  
Molecular Simulation ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid

scholarly journals Molecular simulation of the vapor-liquid equilibria of xylene mixtures: Force field performance, and Wolf vs. Ewald for electrostatic interactions

2019 ◽  
Vol 485 ◽  
pp. 239-247 ◽  
Author(s):  
Sebastián Caro-Ortiz ◽  
Remco Hens ◽  
Erik Zuidema ◽  
Marcello Rigutto ◽  
David Dubbeldam ◽  
...  
Keyword(s):  
Force Field ◽  
Molecular Simulation ◽  
Electrostatic Interactions ◽  
Field Performance ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid

Prediction of viscosities and vapor–liquid equilibria for five polyhydric alcohols by molecular simulation

2007 ◽  
Vol 260 (2) ◽  
pp. 218-231 ◽  
Author(s):  
Manish S. Kelkar ◽  
Jake L. Rafferty ◽  
Edward J. Maginn ◽  
J. Ilja Siepmann
Keyword(s):  
Molecular Simulation ◽  
Polyhydric Alcohols ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid

Molecular simulation of vapor–liquid equilibria of toxic gases

2004 ◽  
Vol 220 (1) ◽  
pp. 1-6 ◽  
Author(s):  
Wu Lin ◽  
Qingyuan Yang ◽  
Chongli Zhong
Keyword(s):  
Molecular Simulation ◽  
Toxic Gases ◽  
Vapor Liquid Equilibria ◽  
Vapor Liquid
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