Comprehensive Characterization of Interfacial Behavior for the Mixture CO2 + H2O + CH4: Comparison between Atomistic and Coarse Grained Molecular Simulation Models and Density Gradient Theory

2014 ◽  
Vol 118 (42) ◽  
pp. 24504-24519 ◽  
Author(s):  
José Manuel Míguez ◽  
José Matías Garrido ◽  
Felipe J. Blas ◽  
Hugo Segura ◽  
Andrés Mejía ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Density Gradient ◽  
Simulation Models ◽  
Coarse Grained ◽  
Gradient Theory ◽  
Interfacial Behavior ◽  
Density Gradient Theory ◽  
Comprehensive Characterization

Pitfalls of using the geometric-mean combining rule in the density gradient theory

2016 ◽  
Vol 415 ◽  
pp. 75-83 ◽  
Author(s):  
Xiaodong Liang ◽  
Michael Locht Michelsen ◽  
Georgios M. Kontogeorgis
Keyword(s):  
Density Gradient ◽  
Geometric Mean ◽  
Gradient Theory ◽  
Density Gradient Theory

Modelling interfacial properties of ionic liquids with ePC-SAFT combined with density gradient theory

2016 ◽  
Vol 114 (16-17) ◽  
pp. 2492-2499 ◽  
Author(s):  
Gulou Shen ◽  
Christoph Held ◽  
Xiaohua Lu ◽  
Xiaoyan Ji
Keyword(s):  
Ionic Liquids ◽  
Density Gradient ◽  
Interfacial Properties ◽  
Gradient Theory ◽  
Density Gradient Theory
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