Gas-Expanded Liquids: Synergism of Experimental and Computational Determinations of Local Structure.

Eckert, C. A. ; Liotta, C. L. ; Harnandez, R.

Technical Information Center Oak Ridge Tennessee

关键词: Solvents;    Synergy;    Molecular dynamics;    Computations;    Simulation;   

RP-ID  :  DE2007910459

学科分类：工程和技术（综合）

美国|英语

来源: National Technical Reports Library

【 摘 要 】

This project focuses on the characterization of a new class of solvent systems called gas expanded liquids (GXLs), targeted for green-chemistry processing. The collaboration has adopted a synergistic approach combining elements of molecular dynamics (MD) simulation and spectroscopic experiments to explore the local solvent behavior that could not be studied by simulation or experiment alone.