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昆明理工大学 冶金与能源工程学院,昆明 650093
李少云(1995-),男,硕士研究生,主要研究方向为冶金溶液热力学。E-mail:505024377@qq.com;
* 陶东平(1960-),男,教授,博士生导师,主要研究方向为冶金熔体溶液物理化学。E-mail:dongpingt@aliyun.com.
纸质出版日期:2021-11-20,
收稿日期:2020-08-14,
修回日期:2021-07-31,
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李少云, 张聪宇, 陶东平. 电解质MIVM 在含Na+ 或Cl- 表面活性剂体系中渗透系数的计算[J]. 高分子通报, 2021,34(11):53-63.
Shao-yun LI, Cong-yu ZHANG, Dong-ping TAO. Calculation of Osmotic Coefficient of Electrolyte MIVM in Na+ or Cl- Two Component Ionic Surfactant System[J]. Polymer Bulletin, 2021,34(11):53-63.
李少云, 张聪宇, 陶东平. 电解质MIVM 在含Na+ 或Cl- 表面活性剂体系中渗透系数的计算[J]. 高分子通报, 2021,34(11):53-63. DOI: 10.14028/j.cnki.1003-3726.2021.11.008.
Shao-yun LI, Cong-yu ZHANG, Dong-ping TAO. Calculation of Osmotic Coefficient of Electrolyte MIVM in Na+ or Cl- Two Component Ionic Surfactant System[J]. Polymer Bulletin, 2021,34(11):53-63. DOI: 10.14028/j.cnki.1003-3726.2021.11.008.
本文采用电解质MIVM(eMIVM)和电解质NRTL模型(eNRTL)分别对含钠和含氯的二组分离子表面活性剂体系的渗透系数进行了计算
并比较了两个模型的计算结果。通过比较发现
不论是在含钠体系还是含氯体系
eMIVM 都要比eNRTL 具有一定的优势。 eMIVM 和eNRTL 在含钠体系拟合的偏差分别为0.0230、0.0420
拟合的相对误差分别为2.88%、4.98%;在含氯体系拟合的偏差分别为0.0594、0.0606
拟合的相对误差分别为13.19%、13.95%。同时
本文通过渗透系数的计算关联了溶液的渗透压
可以看出在部分含钠的体系中
eMIVM 计算的渗透压更接近实验值
计算的偏差相比于eNRTL更小
更符合实际的应用情况。在部分含钠的体系中
eNRTL表现出相反的拟合趋势
这也许是因为eMIVM 相较于eNRTL具有更可靠的统计热力学基础
可以同时描述分子相互作用(焓)和分子构型的微观状态数(熵)对过量吉布斯能的贡献。这表明eMIVM 可以适用于离子表面活性剂体系
进一步拓展了该模型的适用性。
This paper uses electrolyte MIVM (eMIVM) and electrolyte NRTL model (eNRTL) to calculate the osmotic coefficient of the two-component ionic surfactant system containing sodium and chlorine respectively
and compares the calculation results of the two models. Through comparison
it is found that eMIVM has certain advantages over eNRTL in both the sodium and chlorine systems. The fitting deviations of eMIVM and eNRTL in the sodium-containing system were 0.0230 and 0.0420 respectively
and the relative errors of fitting were 2.88% and 4.98% respectively. In the chlorinecontaining system
the fitting deviations was 0.0594 and 0.0606
and the fitting relative errors was 13.19% and 13.95%
respectively. At the same time
the osmotic pressure of the solutions was correlated with the calculation of osmotic coefficient in this paper. It can be seen that in some sodium-based systems
the osmotic pressure calculated by eMIVM is closer to the experimental values
and the calculated deviations is smaller than that of eNRTL
which is more in line with the actual application situation. In addition
in some systems containing sodium
eNRTL shows an opposite fitting trend. This may be because eMIVM has a more reliable statistical thermodynamic basis compared with eNRTL
and can simultaneously describe the contribution of molecular interaction (enthalpy) and the number of microscopic states of molecular configuration (entropy) to excess Gibbs energy. This indicates that eMIVM can be applied to the ionic surfactant system
further expanding the applicability of this model.
离子表面活性剂渗透系数渗透压eMIVMeNRTL
Ionic surfactantsOsmotic coefficientOsmotic pressureeMIVMeNRTL
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