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Acta Chimica Sinica ›› 2011, Vol. 69 ›› Issue (02): 239-242. Previous Articles Next Articles
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李丽妍,唐开伟,蔡钧*
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LI Li-Yan, TANG Kai-Wei, CAI Jun
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The critical properties of square-well dimer with range λ=1.5 are calculated by grand ensemble Monte Carlo simulation. The critical temperature and density obtained with the help of histogram reweighting technique and finite-size scaling theory are and , respectively. Vapor-liquid equilibria properties far from the critical point are explored by hyper-parallel tempering method which can greatly improve simulation efficiency. The result of critical properties is much more precise than previous simulation result.
Key words: Monte Carlo method, square-well dimer, critical property, vapor-liquid equilibria
LI Li-Yan, TANG Kai-Wei, CAI Jun. Simulation of Phase Equilibria for Square-Well Dimer[J]. Acta Chimica Sinica, 2011, 69(02): 239-242.
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