scholarly journals Molecular theory for the phase equilibria and cluster distribution of associating fluids with small bond angles

2013 ◽  
Vol 139 (5) ◽  
pp. 054902 ◽  
Author(s):  
Bennett D. Marshall ◽  
Walter G. Chapman
Keyword(s):  
Phase Equilibria ◽  
Molecular Theory ◽  
Associating Fluids ◽  
Bond Angles ◽  
Cluster Distribution

Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations

2017 ◽  
Vol 19 (31) ◽  
pp. 20367-20376 ◽  
Author(s):  
Wei-Lin Chen ◽  
Shiang-Tai Lin
Keyword(s):  
Hydrogen Bonding ◽  
Activity Coefficient ◽  
Phase Equilibria ◽  
Implicit Solvation ◽  
Associating Fluids ◽  
Explicit Consideration

Directional hydrogen bonding is introduced to implicit solvation calculations for improved prediction of solvation properties and phase equilibria of associating fluids.

Phase equilibria of associating fluids

1988 ◽  
Vol 65 (5) ◽  
pp. 1057-1079 ◽  
Author(s):  
Walter G. Chapman ◽  
George Jackson ◽  
Keith E. Gubbins
Keyword(s):  
Phase Equilibria ◽  
Associating Fluids

scholarly journals Bond‐bias simulation of phase equilibria for strongly associating fluids

1994 ◽  
Vol 101 (2) ◽  
pp. 1477-1489 ◽  
Author(s):  
D. M. Tsangaris ◽  
J. J. de Pablo
Keyword(s):  
Phase Equilibria ◽  
Associating Fluids
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