Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2014
- Source ID
- 10.1039/c4cp01048e
Entities
People
- Edward J. Maginn
- Yong Zhang
Organizations
- Air Force Office of Scientific Research
- United States Department of Energy
- University of Notre Dame