Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids-Reference-Cited by-同舟云学术

Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids

Published:2014 Issue:26 Volume:16 Page:13489-13499
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Zhang Yong¹²³,Maginn Edward J.¹²³

Affiliation:

1. Department of Chemical and Biomolecular Engineering

2. University of Notre Dame

3. Notre Dame, USA

Abstract

Experimental trends in melting points correctly captured by simulation and the opposite trends were found to be the results of the balance between fusion enthalpy and fusion entropy.

Funder

Air Force Office of Scientific Research

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01048E

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