多元表面活性剂复配的分子热力学模型研究

doi:10.11949/0438-1157.20200678

摘要/Abstract

摘要：

表面活性剂在实际工业生产中有着广泛应用，一般多为多种表面活性剂的复配体系，利用不同组分的特性，使得复配体系具有比单一表面活性剂更优越的性能，而多元表面活性剂复配机理仍不是很清楚。采用实验与理论模型相结合的方法，研究混合表面活性剂各组分间的协同效应。首先以Flory-Huggins理论为基础，推导了多元表面活性剂体系的分子热力学模型，通过二元系实验数据关联出两两相互作用参数，可对多元体系临界胶束浓度(cmc)与混合表面活性剂胶束相组成进行预测，三元表面活性剂复配体系模型计算结果与实验值吻合较好。

关键词: 表面活性剂, 协同效应, 分子热力学, 临界胶束浓度, Flory-Huggins理论, 相平衡, 模型

Abstract:

Surfactants are widely used in the actual industrial production. Generally, it is a compound system of multiple surfactants to make use of the characteristics of different components, so that the compound system has better performance than a single surfactant. The compounding mechanism of multiple surfactants is still an interesting topic. In this paper, experimental and theoretical models are used to study the synergistic effect among the components of mixed surfactants. Firstly, based on Flory-Huggins theory, the molecular thermodynamic model of the multi-component surfactant system is derived. The interaction parameters of the two systems are correlated through the experimental data of the binary system. The critical micelle concentration (cmc) of the multi-component system and the phase composition of the mixed surfactant micelle can be predicted. The calculated results of the three-component surfactant system model are in good agreement with the experimental values.

Key words: surfactants, synergistic effect, molecular thermodynamics, critical micelle concentration(cmc), Flory-Huggins theory, phase equilibria, model

中图分类号:

TQ 013.1

程锦, 陈章洋, 张峪铭, 段奇, 练成, 刘洪来. 多元表面活性剂复配的分子热力学模型研究[J]. 化工学报, 2020, 71(10): 4590-4600.

Jin CHENG, Zhangyang CHEN, Yuming ZHANG, Qi DUAN, Cheng LIAN, Honglai LIU. Molecular thermodynamic model for compounding of multiple surfactants[J]. CIESC Journal, 2020, 71(10): 4590-4600.

图/表 6

图1 月桂醇聚氧乙烯醚与吐温80的复配比例为6.5∶3.5时的最大泡压曲线

Fig.1 Maximum bubble pressure curve when the ratio of lauryl alcohol polyoxyethylene ether and Tween 80 is 6.5∶3.5

图2 混合表面活性剂体系的相平衡假设

Fig.2 Phase equilibrium hypothesis of mixed surfactant systems

图3 三种二元体系cmc的实验值与计算结果对比

Fig.3 Comparison of the experimental and calculated results of cmc of three binary systems

表1 三种表面活性剂两两复配的Flory-Huggins参数

Table 1 Flory-Huggins parameters of two-component of three surfactants

x₃⁰	χ₂₃	平均值	误差(上)	误差(下)	x₂⁰	χ₂₄	平均值	误差(上)	误差(下)	x₃⁰	χ₃₄	平均值	误差(上)	误差(下)
0.2	-0.2382	-0.2245	0.0259	0.0141	0.2	-0.3767	-0.3695	0.0547	0.1116	0.2	-0.0036	-0.0466	0.043	0.1135
0.35	-0.2345				0.35	-0.4811				0.35	-0.0189
0.5	-0.2122				0.5	-0.3540				0.5	0.0092
0.65	-0.1986				0.65	-0.3207				0.65	-0.0591
0.8	-0.2386				0.8	-0.3148				0.8	-0.1601

图4 三元表面活性剂溶液体系cmc的实验值与计算结果对比

Fig.4 Comparison of the experimental and calculated results of cmc in ternary surfactant solution system

图5 三元表面活性剂溶液体系四个实验点处胶束相组成?im的计算结果

Fig.5 Calculation results of micelle phase composition ?im at four experimental ternary surfactant solution system

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