Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols-Reference-Cited by-同舟云学术

Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols

Published:2000-04-25 Issue:19 Volume:104 Page:4745-4753
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Delhommelle J.¹,Tschirwitz C.¹,Ungerer P.¹,Granucci G.¹,Millié P.¹,Pattou D.¹,Fuchs A. H.¹

Affiliation:

1. Department of Physical Chemistry, UMR 8611, Bat. 490, Université de Paris-Sud, F-91405 Orsay Cedex, France, Laboratoire de Chimie Théorique, DSM/DRECAM/SPAM, CEA-CE Saclay, F-91191 Gif-sur-Yvette, France, Institut Français du Pétrole, 1−4 Avenue. de Bois Préau, F-92852 Rueil-Malmaison Cedex, France, and Groupement de Recherches de Lacq, Elf-Atochem, BP 34, F-64170 Lacq, France

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp994064b

Reference41 articles.

1. Optimized intermolecular potential functions for liquid hydrocarbons

2. Computer simulations of vapor–liquid phase equilibria ofn‐alkanes

3. Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes

4. Molecular Simulation of Phase Equilibria for Water−Methane and Water−Ethane Mixtures

5. On the simulation of vapor–liquid equilibria for alkanes

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