复杂含氧盐矿物热力学数据的简单估算方法

Simple estimation method for thermodynamic data of complex oxysalt minerals

提出了一种复杂含氧盐矿物的摩尔生成Gibbs自由能和摩尔生成焓的简单估算方法,并把复杂含氧盐矿物分为不含水复杂含氧盐矿物和含水复杂含氧盐矿物,不含水复杂含氧盐矿物可以看作是酸性氧化物和碱性氧化物组成的物质,其摩尔生成Gibbs自由能或摩尔生成焓都可以看作是酸性氧化物和碱性氧化物复合成的化合物摩尔生成Gibbs自由能或摩尔生成焓之和。含水复杂含氧盐矿物摩尔生成Gibbs自由能或摩尔生成焓是不含水部分和水的摩尔生成Gibbs自由能或摩尔生成焓贡献值之和。本文提出的方法计算步骤十分简单,从相对误差来看,本方法和其他方法相比精度较好,可以计算包含本课题组长期研究的钛酸盐系列晶须的所有复杂含氧盐矿物的摩尔生成Gibbs自由能和摩尔生成焓,为热力学在钛酸盐系列晶须制备中的应用提供理论支持。

A simple estimation method for molar Gibbs free energy and enthalpy of formation for complex oxysalt minerals is proposed.Complex oxysalt minerals are divided into complex oxysalt minerals with water and complex oxysalt minerals without water.Complex oxysalt minerals without water can be considered as the composite of acidic oxides and alkaline oxides,so their molar Gibbs free energy or molar enthalpy of formation can be calculated by the summation of molar Gibbs free energy or molar enthalpy of formation of the acidic oxides and alkaline oxides which are combined into the complex compounds.Molar Gibbs free energy or molar enthalpy of formation of complex oxysalt minerals with water is obtained by the summation of molar Gibbs free energy or molar enthalpy of formation of the part without water and water.The calculation method represented in this paper is very simple and convenient.By comparing the relative errors,the method is better than other methods.Moreover,it can be used to calculate molar Gibbs free energy and molar enthalpy of formation of all complex oxysalt minerals including a series of titanate whiskers that author’s group has studied for many years.The thermodynamic data for the series of titanate whiskers provide necessary fundamentals to their preparation.