On the development of a general force field for the molecular simulation of perfluoroethers-Reference-Cited by-同舟云学术

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On the development of a general force field for the molecular simulation of perfluoroethers

Published:2003-07-20 Issue:14 Volume:101 Page:2157-2169
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

LI H.-C.¹,MCCABE C.²,CUI S. T.¹³,CUMMINGS P. T.³⁴,COCHRAN H. D.¹³

Affiliation:

1. a Department of Chemical Engineering , University of Tennessee , Knoxville , TN , 37996-2200 , USA

2. b Department of Chemical Engineering , Colorado School of Mines , Golden , CO , 80401-1887 , USA

3. c Chemical Sciences Division, Oak Ridge National Laboratory , Oak Ridge , TN , 37831-6181 , USA

4. d Department of Chemical Engineering , Vanderbilt University , Nashville , TN , 37235-1604 , USA

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/0026897031000154329

Reference42 articles.

1. Kroschwitz , J. I. and Howe-grant , M. 1991. Encyclopedia of Chemical Technology,, 4th edn Vol. 11, 499–504. New York: Wiley.

2. Synthetic Lubricants And High- Performance Functional Fluids, Revised And Expanded

3. Viscosity prediction for perfluoropolyalkylether fluids

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1. Molecular simulations of transport properties of polar hydrofluoroethers: Force field development, fractional Stokes-Einstein and free volume relations;Journal of Molecular Liquids;2023-11

2. Perfluoropolyethers: Development of an All-Atom Force Field for Molecular Simulations and Validation with New Experimental Vapor Pressures and Liquid Densities;The Journal of Physical Chemistry B;2017-06-27

3. Molecular Dynamics Study on Proton Transport in Supported Nafion Ionomer Thin Films on Lennard-Jones Walls;ECS Transactions;2016-08-22

4. A Molecular Dynamics Study of the Effects of V2+ and V3+ on the Local Structure of Hydrated Nafion;The Journal of Physical Chemistry C;2015-06-03

5. Stability and Structure of Nanometer-Thin Perfluoropolyether Films Using Molecular Simulations;Tribology Letters;2014-03-13

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