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首页> 外文期刊>AIChE Journal >A Molecular-Thermodynamic Approach to Predict the Micellization of Binary Surfactant Mixtures Containing Amino Sulfonate Amphoteric Surfactant and Nonionic Surfactant
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A Molecular-Thermodynamic Approach to Predict the Micellization of Binary Surfactant Mixtures Containing Amino Sulfonate Amphoteric Surfactant and Nonionic Surfactant

机译:预测含氨基磺酸氨基磺酸氨基磺酸氨基磺酸盐两性表面活性剂和非离子表面活性剂的分子热力学方法

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摘要

A molecular-thermodynamic approach was adopted to predict the value of mixed critical micelle concentration (cmc) for the binary surfactant mixtures constituted by an amino sulfonate amphoteric surfactant, sodium 3-(N-dodecyl ethylenediamino)-2-hydropropyl sulfonate (abbr. C12AS), and a nonionic surfactant, octylphenol polyethylene ether (OP-n, where n denotes the average number of oxyethylene glycol ether). In this investigation, considering two positive charges on the hydrophilic group of C12AS, which is unlike to conventional zwitterionic surfactants having one positive charge (such as, alkylbetaine, etc.), three schemes were designed to obtain the geometric parameter describing the dipole structure of C12AS. According to the selected optimum scheme, four cases corresponding to the different conformations of both the headgroup and the hydrocarbon chain of surfactant were discussed. The results show that the predicted value of mixed cmc for the C12AS/OP-n mixtures agrees well with the experiment value. The deviation of the predicted value from the experimental value can be explained by the effect of the hydrophilicity of OP-n on the process of micellization. (C) 2017 American Institute of Chemical Engineers
机译:采用分子 - 热力学方法来预测由氨基磺酸盐两性表面活性剂,3-(N-十二烷基乙基乙胺)-2-氢丙酯磺酸钠(ABBR.C12AS)构成的二元表面活性剂混合物的混合临界胶束浓度(CMC)的值。 )和非离子表面活性剂,辛基酚聚乙烯醚(OP-N,其中N表示平均氧乙二醇醚的数量)。在该研究中,考虑到Sp12As的亲水基团上的两个正电荷,这与具有阳性电荷(例如烷基培属等)的常规的两性离子表面活性剂不同,设计了三种方案,以获得描述偶极结构的几何参数C12AS。根据所选择的优化方案,讨论了与组分和表面活性剂的烃链的不同构象对应的四种情况。结果表明,C12AS / OP-N混合物的混合CMC的预测值与实验值吻合良好。通过OP-N的亲水性对胶束化方法的影响,可以解释预测值从实验值的偏差。 (c)2017美国化学工程师研究所

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