Gao Xiang, Gallicchio Emilio, Roitberg Adrian E
Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA.
Department of Chemistry, Brooklyn College of the City University of New York, Brooklyn, New York 11210, USA and Doctoral Programs in Chemistry and Biochemistry, The Graduate Center of the City University of New York, Brooklyn, New York 11210, USA.
J Chem Phys. 2019 Jul 21;151(3):034113. doi: 10.1063/1.5111333.
We show that the generalized Boltzmann distribution is the only distribution for which the Gibbs-Shannon entropy equals the thermodynamic entropy. This result means that the thermodynamic entropy and the Gibbs-Shannon entropy are not generally equal, but rather the equality holds only in the special case where a system is in equilibrium with a reservoir.
我们证明，广义玻尔兹曼分布是唯一一种吉布斯 - 香农熵等于热力学熵的分布。这一结果意味着，热力学熵和吉布斯 - 香农熵通常并不相等，而是仅在系统与热源处于平衡的特殊情况下等式才成立。
