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Accession Number:
AD1026633
Title:
Technologies for Developing Predictive Atomistic and Coarse-Grained Force Fields for Ionic Liquid Property Prediction
Corporate Author:
Useful Bias Incorporated Edgewood United States
Report Date:
2008-07-29
Abstract:
Force Fields for Modeling of Ionic Liquids. A force field was developed for the systems 1-Ethyl-1-methylphospholinium Tricyanomethanide and 1-Ethyl-3-methylimidazolium Butanesulfonate using a combination of theoretical calculations and experimental data. The force field parameters simulation results are presented in this final report. In addition, experimental data on related ionic liquid systems is presented and discussed.
Descriptive Note:
STTR Report,30 Sep 2007,29 Jun 2008
Pages:
0023
Distribution Statement:
Approved For Public Release;
Contract Number:
FA9550-07-C-0159
File Size:
3.60MB
