根据不同温度下的平衡常数计算了络合物的生成焓、生成自由焓和熵。
The formation enthalpy, free enthalpy and entropy of the complex have been calculated by equilibrium constants at different temperatures.
我们为什么不能，直接计算平衡常数？
Why can't we just calculate equilibrium constants based on what we've seen so far.
如果我们能计算分子的配分函数，而分子反应处于平衡状态，我们应该能够计算出平衡常数。
If we can calculate the partition functions for molecules, and they undergo reactions and they're in equilibrium, we should be able to calculate the equilibrium constants.
内圈迭代采用校正克拉珀龙饱和蒸汽压方程计算平衡常数。
In the internal iteration, author used the adjusted Clausius-Clapeyron satur-vapor pressure equation to calculate the equilibrium coefficient.
本文提出，多重化学反应自由焓变、平衡常数的一步计算法，可在金属冶炼和诸多化学领域中广泛的应用。
This article introduces one-step calculating method of multi-chemical reactions free enthalpy change and equilibrium constant and its application in metal smelting and other many chemical fields.
应用平衡常数法、物料衡算和热量衡算，建立了直流法克劳斯硫磺回收工艺的计算模型。
Using the equilibrium constant method, the thermal and material balance calculation, and has set up the calculation model of straight Claus sulfur recovery process.
前者包括反应自由焓、平衡常数、最大产量、气相分压以及熔盐电解理论分解电压的计算；
The former includes the calculation of reaction free enthalpy, equilibrium constants, maximum output, gaseous phase partial pressure and theoretical decomposition voltage of molten salt electrolysis.
本文对电离平衡反应用热力学进行了处理，推导出了计算平衡反应的平衡常数K_3的公式。
This paper deals with electro-ionization balance reaction based on thermodynamics and derives the formula of balance constant K3 for calculating balance reaction.
针对体系的非理想过程，采用UNIFAC基团贡献法计算液液平衡常数，解决了实验数据不足造成的局限。
As to the non-linear process of the system, we calculate the constant of the Liquid-liquid equilibrium by making use of the UNIFAC Method to solve the problem of the lack of experimental data.
本文对涉及露点、泡点、密度、平衡常数、热物性参数以及传热计算等问题进行了探讨。
Some problems of heat transfer are studied in this paper, they are dew point, boiling point, density, equilibrium constant, thermophysical properties and heat transfer calculation method.
包合后客体化合物的溶解度有了明显的提高，此外还用相溶解度法计算了包合反应的平衡常数。
Further more, the equilibrium-constant of the inclusion reaction was calculated by the data of phase solubility method.
常用工具模块可进行混合组份热容，反应热效应，反应平衡常数，反应过程热和平衡组成的计算。
By shifting to the tool module, the following values can be calculated easily, heat capacity of mixed components, reaction heat, equilibrium constant, reaction process heat and equilibrium yields.
介绍了基于平衡常数法的水溶液平衡组分分布的计算原理及其数学模型。
It is introduced that the calculating principle and the math model of the equilibrium constant method for calculating the equilibrium distribution of species of water solution.
本文提出了一种计算缔合平衡常数的方法。
A method for the calculation of association constants is proposed.
即内层迭代是将物料平衡方程和相平衡方程联立，化为三对角矩阵形式，由之解出各板液相组成后，通过泡点计算法求定各板新的温度和相平衡常数。
The internal iterative calculation is to correlate the equations of mass and phase equilibrium into a triple diagonal matrix from which the liquid compositions can be found out.
考察其反应产物分布，计算反应网络中各步的反应速度常数和热力学平衡常数，探讨反应网络的主线和反应条件对主线的影响。
Reaction rate constants were calculated upon the products distribution. The main reaction path was given out and the effects of reaction conditions on it were investigated.
对甲醇氧化羰基化合成DMC的过程进行了热力学分析。着重计算了合成反应的平衡常数和平衡转化率。
A thermodynamic analysis of synthesis process of DMC by oxidation carbonylation of methanol was carried out with the emphasis on calculations of equilibrium constants and conversions for the reaction.
对甲醇氧化羰基化合成DMC的过程进行了热力学分析。着重计算了合成反应的平衡常数和平衡转化率。
A thermodynamic analysis of synthesis process of DMC by oxidation carbonylation of methanol was carried out with the emphasis on calculations of equilibrium constants and conversions for the reaction.
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