首页/数据集/A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: new data and SAFT- gamma Mie parameters.FPE 2022

A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: new data and SAFT- gamma Mie parameters.FPE 2022

NIAID Data Ecosystem2026-03-14 收录

碳捕集溶剂热力学

基团贡献法

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https://zenodo.org/record/7291413 数据链接链接失效反馈

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All data in the figures in the publication.

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创建时间：

2022-11-06

化合物蒸气压预测

基团贡献法

In the present study, a group contribution model is developed for determination of the vapor pressure of pure chemical compounds at temperatures from 55 to 3040 K. About 42 000 vapor pressure values b

NIAID Data Ecosystem70

Group Additivity Analysis of the Heat Capacity Changes Associated with the Dissolution into Water of Different Organic Compounds

溶液热力学

基团贡献法

A group additivity approach is applied to the large positive heat capacity changes associated with the dissolution process into water of different classes of organic molecules. The results show that t

NIAID Data Ecosystem50

A Comprehensive Methodology for Development, Parameter Estimation, and Uncertainty Analysis of Group Contribution Based Property ModelsAn Application to the Heat of Combustion

热力学性质预测

基团贡献法

A rigorous methodology is developed that addresses numerical and statistical issues when developing group contribution (GC) based property models such as regression methods, optimization algorithms, p

NIAID Data Ecosystem40

Significance of Group Frequency Distributions for Group Additivity

基团贡献法

热力学计算

The following hypothesis is proposed: When additivity is valid, the molecular frequency distribution (MFD) is a weighted sum of group frequency distributions (GFDs). On the basis of the transformation

NIAID Data Ecosystem60

Extensive Databases and Group Contribution QSPRs of Ionic Liquid Properties. 3: Surface Tension

离子液体性质预测

基团贡献法

Quantitative structure–property relationships (QSPR) for calculating temperature dependence of surface tension (σ) of ionic liquids (ILs) in terms of group contributions (GCs) is proposed and broadly

NIAID Data Ecosystem50

A predictive group-contribution framework for the thermodynamic modelling of CO2 absorption in cyclic amines, alkyl polyamines, alkanolamines and phase-change amines: new data and SAFT- gamma Mie parameters.FPE 2022

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