统计热力学方法

借助统计热力学方法和正规溶液模型法估计了在αFe-N体系中氮原子与其周围最近邻氮原子之间的相互作用。

The interaction energy of N-N pairs in α Fe-N system was evaluated through statistical thermodynamics and regular solution model .

基于统计热力学方法和Eyring的绝对反应速率理论求得该反应的热力学和动力学参数。

Finally , the thermodynamic and kinetic parameters have been investigated based on the statistical thermodynamics and transition state theory .

用统计热力学方法在200～1100K范围内计算了某些大里德伯（Rydberg）分子的热力学函数以及电离过程的热力学函数改变值；

He changes of thermodynamic functions for ionization process of some large Rydberg molecules are calculated with statistical thermodynamic method over the temperature range of 200 ~ 1100K .

应用溶液统计热力学方法和溶液理论，建立了多元液体混合物的统计热力学模型。

Based on the method of statistical thermodynamics of solutions , a statistical thermodynamic model of liquid mixtures is given .

本文用统计热力学方法导得了液体饱和蒸气压与蒸发热间的关系式。

A relation between the saturated vapor pressure and the heat of vaporization for pure liquids has been derived by statistical thermodynamic method .

基于范德瓦耳斯流体的分子聚集模型，应用统计热力学方法导出分子聚集型状态方程。

On the basis of molecular aggregation model of van der Waals fluid the equation of state ( vdW ) for molecular aggregation is derived by using statistical thermodynamic method .

根据能级结构和简并度，用统计热力学方法计算不同温度下Au~（48+）～Au~（52+）离子的电子配分函数和这五种离子间的电离与复合反应平衡常数。

Based on energy level structures and degeneracy , the partition function , equilibrium constant and second-order recombination rate constants of Au48 + - Au52 + at different temperature are derived by statistical thermodynamics .

用统计热力学方法建立了一个液体内聚能模型.它能用来计算各种液体的内聚能和溶解度参数。

A model of the cohesive energy of liquids , which can be used to calculate the cohesive energy and solubility parameters of various liquids , has been established using a statistical thermodynamic method .

由改进的方阱位能模型径向分布函数的解析式，结合统计热力学的方法关联纯物质的表面张力。

A modified square well analytical radial distribution function was derived .

这一理论从系统成分粒子的动力学出发，按统计热力学的方法来讨论体系的性质。

Starting from the dynamics of the constituent particle of the system , this theory can be used to discuss the properties of the nuclear matter according to the principle of the statistic thermodynamics .

在一个大气压和298.15K的条件下用统计热力学的计算方法来计算负焓变，其结果显示整个包合是一个熵焓驱动过程。

The negative enthalpy changes calculated from the statistical thermodynamic calculations at 1 atm and 298.15K suggest that the inclusion complexes are favored enthalpy-driven processes .