Measurements and modelling of interfacial tension for water + carbon dioxide systems at elevated pressures
Measurements and modelling of interfacial tension for water + carbon dioxide systems at elevated pressures
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DOI：
10.1016/j.commatsci.2006.01.020
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发表时间：
2007
影响因子：
3.3
通讯作者：
B. Kvamme;T. Kuznetsova;A. Hebach;Alexander Oberhof;Eivind Lunde
中科院分区：
文献类型：
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作者：
B. Kvamme;T. Kuznetsova;A. Hebach;Alexander Oberhof;Eivind Lunde
采用新型的界面张力测定装置PeDro，在278- 335 K、0.1- 20 MPa的温度范围内测定了水和压缩二氧化碳组成的二元体系的界面张力。我们优化的实验装置采用准静态悬滴法，并确保实验误差低于2%。界面张力表现出显着的压力和温度的依赖性。推导出一个回归函数，允许以高精度在实验数据之间进行插值。对高压下水和二氧化碳的液-液和液-气界面进行了分子动力学模拟。界面张力是从长时间的恒定体积生产运行中获得的，作为法向和切向压力分量之间的差。结果表明，与实验数据吻合良好，与我们的模型系统再现忠实的压力-温度依赖性的界面张力。
A novel apparatus, PeDro, was used to measure interfacial tension in a two-component system made of water and compressed carbon dioxide at temperatures ranging 278–335K and pressures 0.1–20MPa. Our optimized experimental setup utilized the quasi-static pendant drop method and ensured experimental errors below 2%. The interfacial tension showed a pronounced dependence on pressure and temperature. A regression function was derived that allows to interpolate between the experimental data with high precision. Molecular dynamics simulations were performed for liquid–liquid and liquid–vapor interfaces between water and carbon dioxide at elevated pressures. The interfacial tension was obtained from long constant-volume production runs as the difference between normal and tangential pressure components. The results showed a good agreement with experimental data, with our model system reproducing faithfully the pressure–temperature dependence of the interfacial tension.