Prediction of the homogeneous droplet nucleation by the density gradient theory and PC-SAFT equation of state

2013 ◽  
Author(s):  
Barbora Planková ◽  
Jan Hrubý ◽  
Václav Vinš
Keyword(s):  
Equation Of State ◽  
Density Gradient ◽  
Gradient Theory ◽  
Droplet Nucleation ◽  
Density Gradient Theory

Molecular modelling techniques for predicting liquid–liquid interfacial properties of methanol plus alkane (n-hexane, n-heptane, n-octane) mixtures

2020 ◽  
Vol 22 (46) ◽  
pp. 27121-27133
Author(s):  
Esteban Cea-Klapp ◽  
José Manuel Míguez ◽  
Paula Gómez-Álvarez ◽  
Felipe J. Blas ◽  
Héctor Quinteros-Lama ◽  
...  
Keyword(s):  
Equation Of State ◽  
Molecular Dynamic ◽  
Density Gradient ◽  
Molecular Modelling ◽  
Interfacial Properties ◽  
Gradient Theory ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations ◽  
Modelling Techniques ◽  
Density Gradient Theory

Liquid–liquid interfacial properties of methanol plus n-alkane mixtures are investigated by two complementary molecular modelling techniques: molecular dynamic simulations (MD) and density gradient theory (DGT) coupled with the PC-SAFT equation of state.

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
Sign in / Sign up

Export Citation Format

Share Document