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

Yong Zhang, Edward J. Maginn
2014 Physical Chemistry, Chemical Physics - PCCP  
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.
doi:10.1039/c4cp01048e pmid:24888298 fatcat:fg4viv3xjrdlbaibl75xzck6wm