PROPERTIES OF THE SQUARE-WELL FLUID OF VARIABLE WIDTH .4. MOLECULAR-DYNAMICS TEST OF THE VANDERWAALS AND LONG-RANGE APPROXIMATIONS

被引:49
作者
BENAVIDES, AL [1 ]
ALEJANDRE, J [1 ]
DELRIO, F [1 ]
机构
[1] UNIV AUTONOMA METROPOLITANA AZCAPOTZALCO,DEPT QUIM,MEXICO CITY 09340,DF,MEXICO
关键词
D O I
10.1080/00268979100102261
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Simulation results for a square-well (SW) fluid of range lambda = 3 are presented and used to test the long-range (LR) theory recently developed for SW systems. The discontinuous molecular dynamics methods was used to obtain values of internal energies, pressures and orthobaric densities. The predictions of the second-order LR theory are in excellent agreement with the simulated results, showing that the LR approximation is highly accurate for ranges lambda greater-than-or-equal-to 3. The accuracy of the van der Waals, mean-field and LR approximations is established in terms of the temperature of the system and the range of the well.
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页码:321 / 331
页数:11
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