A Monte Carlo study of semi-dilute hard sphere mixtures
作者： Pascal H. Fries , Jean-Pierre Hansen
DOI: 10.1080/00268978300100641
关键词: Equation of state 、 Dynamic Monte Carlo method 、 Direct simulation Monte Carlo 、 Thermodynamics 、 SPHERES 、 Distribution function 、 Hard spheres 、 Monte Carlo method 、 Physics 、 Pair distribution function
摘要: We present Monte Carlo results for the high density equation of state and partial pair distribution functions semi-dilute solutions large hard spheres in a solvent smaller spheres. The simulation data diameter ratios 2 : 1 3 agree reasonably well with predictions Percus-Yevick theory its semi-empirical modifications, except solute-solute function. A free volume analysis points to existence defined, concentration dependent, amorphous close packed which is significantly higher than pure sphere fluid.
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