Molecular simulation for piperazinium based ILS: Effects of alkyl chain, concentration and anions on Henry�s constants
a simulation study of molecule structuring, electrons density polarization (�-profile) and Henry�s law constant (HLC) have been achieved for three of the dual charge cation ionic liquids (DCCILs) specifically, 1, 4-di-(butyl, hexyl, Octyl)-1, 4-dimethyl-piperazinium using COSMO-RS molecular dynam...
| Main Authors: | Babiker, O.E., Shuhaimi, M., Mutalib, M.I.A. |
|---|---|
| Format: | Article |
| Institution: | Universiti Teknologi Petronas |
| Record Id / ISBN-0: | utp-eprints.31963 / |
| Published: |
Trans Tech Publications Ltd
2014
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| Online Access: |
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84914129409&doi=10.4028%2fwww.scientific.net%2fAMM.625.448&partnerID=40&md5=2b5d919b23332acd01053608a2211341 http://eprints.utp.edu.my/31963/ |
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