scholarly journals Molecular Simulations As a Tool for Predicting Phase Equilibria and Transport Properties of Fluids

1998 ◽  
Vol 53 (3) ◽  
pp. 329-333
Author(s):  
A. Fuchs ◽  
A. Boutin ◽  
B. Rousseau
Keyword(s):  
Phase Equilibria ◽  
Transport Properties ◽  
Molecular Simulations

Correlation between morphology and anisotropic transport properties of diblock copolymers melts

Soft Matter ◽  
2019 ◽  
Vol 15 (5) ◽  
pp. 851-859 ◽  
Author(s):  
Mohammed Suliman Alshammasi ◽  
Fernando A. Escobedo
Keyword(s):  
Transport Properties ◽  
Diblock Copolymers ◽  
Molecular Simulations ◽  
Coarse Grained ◽  
Anisotropic Transport

Molecular simulations of coarse-grained diblock copolymers (DBP) were conducted to study the effect of segregation strength and morphology on transport properties.

Prediction of phase equilibria and transport properties in carbon-dioxide expanded solvents by molecular simulation

2007 ◽  
Vol 33 (9-10) ◽  
pp. 861-869 ◽  
Author(s):  
Y. Houndonougbo ◽  
K. Kuczera ◽  
B. Subramaniam ◽  
B.B. Laird
Keyword(s):  
Carbon Dioxide ◽  
Phase Equilibria ◽  
Transport Properties ◽  
Molecular Simulation

Calculation of Liquid Water−Hydrate−Methane Vapor Phase Equilibria from Molecular Simulations

2010 ◽  
Vol 114 (17) ◽  
pp. 5775-5782 ◽  
Author(s):  
Lars Jensen ◽  
Kaj Thomsen ◽  
Nicolas von Solms ◽  
Scott Wierzchowski ◽  
Matthew R. Walsh ◽  
...  
Keyword(s):  
Phase Equilibria ◽  
Vapor Phase ◽  
Liquid Water ◽  
Molecular Simulations

scholarly journals Thermodynamic, structural and dynamic properties of ionic liquids [C4mim][CF3COO], [C4mim][Br] in the condensed phase, using molecular simulations

RSC Advances ◽  
2019 ◽  
Vol 9 (24) ◽  
pp. 13677-13695 ◽  
Author(s):  
Joel Sánchez-Badillo ◽  
Marco Gallo ◽  
Ricardo A. Guirado-López ◽  
Jorge López-Lemus
Keyword(s):  
Ionic Liquids ◽  
Transport Properties ◽  
Condensed Phase ◽  
Dynamic Properties ◽  
Molecular Simulations ◽  
Coordination Numbers ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Non-covalent interactions, coordination numbers, RDFs, SDFs, CDFs, and transport properties for the [C4mim][Br] and [C4mim][CF3COO] ionic liquids were determined.

scholarly journals Molecular Simulations of the Thermal and Transport Properties of Molten Alkali Carbonates

2017 ◽  
Vol 105 ◽  
pp. 4377-4382
Author(s):  
Gechuanqi Pan ◽  
Jing Ding ◽  
Weilong Wang ◽  
Xiaolan Wei
Keyword(s):  
Transport Properties ◽  
Molecular Simulations
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