MONTE-CARLO SIMULATION STUDIES OF BINARY-MIXTURES - A MEASURE OF THE MIXING


KARAASLAN H. , YURTSEVER E.

BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, cilt.98, sa.1, ss.47-52, 1994 (SCI İndekslerine Giren Dergi) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 98 Konu: 1
  • Basım Tarihi: 1994
  • Doi Numarası: 10.1002/bbpc.19940980107
  • Dergi Adı: BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS
  • Sayfa Sayıları: ss.47-52

Özet

A Monte Carlo algorithm tailored to fast equilibration of binary mixtures is applied to Lennard-Jones fluids and solids. In order to study phase transitions as functions of interaction parameters as well as of the temperature, a measure of the mixing is defined which is based on the normalized differences of radial distribution functions. At all temperatures sharp transitions are observed when the ratio of the interaction strengths of like and unlike particles reaches a threshold value.