✦ LIBER ✦

Spatial distribution functions: liquid CH3CN and CO2

✍ Scribed by A.F. Terzis; E.T. Samulski

Book ID: 103034146
Publisher: Elsevier Science
Year: 1996
Tongue: English
Weight: 603 KB
Volume: 251
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(96)00082-6

No coin nor oath required. For personal study only.

✦ Synopsis

Monte Carlo simulations of CH3CN and CO 2 fluid phases exhibit anisotropy in the spatial distribution functions (SDFs) that is readily interpreted by mere inspection of 2D topographical plots of the SDFs: The local structure i~ condensed CH3CN and CO 2 is dominated by dimer-like arrangements. The fact that this local structure derives from ~directional) electrostatic interactions is obvious from comparisons of SDF topographies obtained from simulations with and ]without the partial charges associated with CHaCN and CO 2.

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