Molecular dynamic studies of the compatibility of some cellulose derivatives with selected ionic liquids
β Scribed by Derecskei, B.; Derecskei-Kovacs, A.
- Book ID
- 119959140
- Publisher
- Taylor and Francis Group
- Year
- 2006
- Tongue
- English
- Weight
- 465 KB
- Volume
- 32
- Category
- Article
- ISSN
- 0892-7022
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π SIMILAR VOLUMES
A molecular dynamics simulation study is performed on the 1-butyl-3-methyl-imidazolium hexafluorophosphate (BMIMPF 6 ), 1-ethyl-3methylimidazolium hexa fluorophosphate (EMIMPF 6 ), and 1-butyl-3-methylimidazolium tetrafluoroborate (BMIMBF 4 ). Self-diffusion coefficients are computed at temperatures
In this study we have used molecular dynamics simulations to understand at the molecular level the causes for the quasi-ideal behavior of mixtures of two ionic liquids having two cations of the same homologous series and a common anion. For this purpose, we have modeled an equimolar mixture of 1-eth