ENTHALPY-ENTROPY COMPENSATION .2. SEPARATION OF CHEMICAL FROM STATISTICAL EFFECT
ENTHALPY-ENTROPY COMPENSATION .2. SEPARATION OF CHEMICAL FROM STATISTICAL EFFECT
复制标题
DOI：
10.1021/j100562a007
复制
发表时间：
1976-01-01
影响因子：
--
通讯作者：
GRIEGER, RA
中科院分区：
文献类型：
--
作者：
KRUG, RR;HUNTER, WG;GRIEGER, RA
对于焓熵补偿问题，提出了一种合适的回归方法来估计热力学参数之间的函数依赖关系。对于热力学参数之间线性相关的情况，导出了无偏参数估计及其置信区间。结果表明，当焓估计与自由能估计作图时，非线性和线性函数依赖关系很容易被检测到。分析和讨论了热力学参数间函数依赖的一些线性和非线性例子。
For problems concerning enthalpy-entropy compensations, an appropriate regression procedure is present-ed for the estimation of functional dependencies between thermodynamic parameters. Unbiased parameter estimates and their confidence intervals are derived for the case of a linear dependence between thermodynamic parameters. It is demonstrated that nonlinear as well as linear functional dependencies are readily de-tectable when enthalpy estimates are plotted vs. free energy estimates. Some linear and nonlinear examples of functional dependencies betweenthermodynamic parameters are analyzed and discussed.