Ionic Liquids Confined in a Realistic Activated Carbon Model: A Molecular Simulation Study

2014 ◽  
Vol 118 (3) ◽  
pp. 1540-1553 ◽  
Author(s):  
Nav Nidhi Rajput ◽  
Joshua Monk ◽  
Francisco R. Hung
Keyword(s):  
Ionic Liquids ◽  
Activated Carbon ◽  
Molecular Simulation ◽  
Simulation Study

Molecular simulation study of water–methanol mixtures in activated carbon pores

2000 ◽  
Vol 113 (16) ◽  
pp. 6933-6942 ◽  
Author(s):  
Abhijit V. Shevade ◽  
Shaoyi Jiang ◽  
Keith E. Gubbins
Keyword(s):  
Activated Carbon ◽  
Molecular Simulation ◽  
Simulation Study

Molecular Simulation Study of Interactions of Carbon Dioxide and Water with Ionic Liquids

ChemPhysChem ◽  
2004 ◽  
Vol 5 (7) ◽  
pp. 1049-1052 ◽  
Author(s):  
Johnny Deschamps ◽  
Margarida F. Costa Gomes ◽  
Agílio A. H. Pádua
Keyword(s):  
Carbon Dioxide ◽  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study

Amphiphilic interactions of ionic liquids with lipid biomembranes: a molecular simulation study

Soft Matter ◽  
2014 ◽  
Vol 10 (43) ◽  
pp. 8641-8651 ◽  
Author(s):  
Brian Yoo ◽  
Jindal K. Shah ◽  
Yingxi Zhu ◽  
Edward J. Maginn
Keyword(s):  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study

A fully consistent experimental and molecular simulation study of methane adsorption on activated carbon

Adsorption ◽  
2014 ◽  
Vol 20 (4) ◽  
pp. 649-656 ◽  
Author(s):  
Fadi Khaddour ◽  
Auriane Knorst-Fouran ◽  
Frédéric Plantier ◽  
Manuel M. Piñeiro ◽  
Bruno Mendiboure ◽  
...  
Keyword(s):  
Activated Carbon ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Methane Adsorption

Interaction between the π-System of Toluene and the Imidazolium Ring of Ionic Liquids: A Combined NMR and Molecular Simulation Study

2009 ◽  
Vol 113 (1) ◽  
pp. 170-177 ◽  
Author(s):  
Thibaut Gutel ◽  
Catherine C. Santini ◽  
Agílio A. H. Pádua ◽  
Bernard Fenet ◽  
Yves Chauvin ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Imidazolium Ring

Bulk and Liquid–Vapor Interface of Pyrrolidinium-Based Ionic Liquids: A Molecular Simulation Study

2014 ◽  
Vol 118 (3) ◽  
pp. 731-742 ◽  
Author(s):  
Xavier Paredes ◽  
Josefa Fernández ◽  
Agílio A. H. Pádua ◽  
Patrice Malfreyt ◽  
Friedrich Malberg ◽  
...  
Keyword(s):  
Ionic Liquids ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Vapor Interface ◽  
Liquid Vapor
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