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Equation of State Calculations by Fast Computing Machines

The Journal of Chemical Physics · 1953 · Vol. 21(6) · pp. 1087–1092

N. Metropolis✉(Los Alamos National Laboratory)Arianna W. Rosenbluth(Los Alamos National Laboratory)M. N. Rosenbluth(Los Alamos National Laboratory)Augusta H. Teller(Los Alamos National Laboratory)Edward Teller(University of Chicago)

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Abstract

A general method, suitable for fast computing machines, for investigating such properties as equations of state for substances consisting of interacting individual molecules is described. The method consists of a modified Monte Carlo integration over configuration space. Results for the two-dimensional rigid-sphere system have been obtained on the Los Alamos MANIAC and are presented here. These results are compared to the free volume equation of state and to a four-term virial coefficient expansion.

Phase Equilibria and Thermodynamics Advanced Thermodynamics and Statistical Mechanics nanoparticles nucleation surface interactionsVirial coefficientMonte Carlo methodEquation of stateStatistical physicsState (computer science)State spacePhysicsThermodynamicsComputer scienceMathematics

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