Pure water experimental and simulation results are combined to predict the thermodynamics of cavity formation, spanning atomic to macroscopic length scales, over the entire ambient liquid temperature range. The resulting cavity equation of state is used to quantify dewetting excess contributions to cavity formation thermodynamics and construct a thermodynamic perturbation theory of hydrophobic hydration. Predictions are compared with large cavity simulations and experimental rare-gas hydration thermodynamics data (for He, Ne, Ar, Kr, Xe, and Rn). Key findings include the strong temperature dependence of the critical length scale for hydrophobic dewetting and the evaluation of fundamental solute-solvent interaction contributions to rare-gas hydration chemical potentials. (c) 2005 American Institute of Physics.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据