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Modelling and prediction of the thermophysical properties of aqueous mixtures of choline geranate and geranic acid (CAGE) using SAFT-g Mie

NIAID Data Ecosystem2026-03-11 收录

离子液体热物理性质

热力学建模

数据链接：

https://zenodo.org/record/3540688 数据链接链接失效反馈

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Calculated and experimental data for all the figures in the publication

应用场景：

创建时间：

2020-01-24

热力学建模

计算化学

Supporting data for work on thermodynamic equilibrium of sulfur vapours: raw files from density functional theory (DFT) calculations with FHI-aims; structure set from evolutionary search; summary of f

DataCite Commons2020-09-04 更新150

FRACTIONATION PROCESS OF ESSENTIAL OILS BY BATCH DISTILLATION

精油分馏

热力学建模

Abstract The greatest obstacle in simulating processes involving essential oils is the small number of thermo-physical properties and experimental data available in the literature. In this work, therm

DataCite Commons2020-08-27 更新50

Generalized Interaction Parameter for the Modified Nonrandom Two-Liquid (NRTL) Activity Coefficient Model

热力学建模

结构-性质关系

Activity coefficients are used in phase equilibria calculations to account for the nonideal behavior of liquids in a mixture. In our previous work, we proposed a modification to the widely used nonran

NIAID Data Ecosystem30

Literature classifications for: Applications to post-combustion carbon capture of open-source Gibbs Energy Minimization software

碳捕获

热力学建模

A classification of 268 articles related to thermodynamic modeling of carbon capture systems. A full description can be found in chapter 2 of "Applications to Post-Combustion Carbon Capture of Open-So

DataCite Commons2025-11-20 更新80

D_K.m

地球化学

热力学建模

Calculation of clinopyroxene/melt partition coefficients for potassium with both the help of the thermodynamic model and the fitted scaling law.

DataCite Commons2023-04-14 更新40