Monte Carlo simulations of squalane in the Gibbs ensemble
β Scribed by B. Neubauer; J. Delhommelle; A. Boutin; B. Tavitian; A.H. Fuchs
- Book ID
- 108446107
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 111 KB
- Volume
- 155
- Category
- Article
- ISSN
- 0378-3812
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π SIMILAR VOLUMES
Equilibrium partitioning of spherical solutes between slit pores and bulk solution is investigated by the Gibbs ensemble Monte Carlo method. Two types of perturbations are performed in this simulation: a random displacement of solutes that ensures equilibrium within both bulk and pore regions, and r
Long Monte cylo ~tirr~ils of liqud w;~tcr at ZYC ;Lnd 1 arm hnrc brcn cxrlcd out IO study the conrergcnce chsracteristics of tic calcuhlrons. The rccenrly reported TIPS2 potenti was cmploycd ~7th system WCS oi I25 md 2 16 monomers. The cnthalpy, volume and radnl dlsmbunon fuunchons converge npldly a