Chemical potential of quadrupolar two-centre Lennard-Jones fluids by gradual insertion
نویسندگان
چکیده
منابع مشابه
Chemical potential of quadrupolar two-centre Lennard-Jones fluids by gradual insertion
The gradual insertion method for direct calculation of the chemical potential by molecular simulation is applied in the NpT ensemble to different quadrupolar two-centre LennardJones fluids at high density state points. The results agree well with Widom’s test particle insertion but show at very high densities significantly smaller statistical uncertainties. The gradual insertion method, which i...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2002
ISSN: 0009-2614
DOI: 10.1016/s0009-2614(02)00286-5