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Monte Carlo simulation of liquid Br2: Test of an effective hamiltoniain

✍ Scribed by F.P. Ricci; D. Rocca; R. Vallauri

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
369 KB
Volume
110
Category
Article
ISSN
0009-2614

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✦ Synopsis

Jones center plus a quadrupole interaction is reported.

The numerical experiments are compared with an approximation method previously suggested and with esperimental results for the liquid Br2 structure. This effective pair potential turns out to bc unable to reproduce the Brz structure while the approximation method is only useful for quadrupole moments less than 1.2 X lo4 C m2.

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Rcccived 20 February 19B5 TWO interactrng Equrd/vapor interfauzs are modelled via a grand canonical Monle Cal;0 simularion of a Lennard-Jon= 12-6 fluid. The resulmg dcnsiry profiles and interracial free energies suggest tlla~ at a cnrical separation equal IO or greater than four atomic diameters. an