Triton X-114表面活性剂对亚甲基蓝染料水溶液的分离

Arunagiri Appusamy, P. Purushothaman, K. Ponnusamy, A. Ramalingam
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引用次数: 7

摘要

本研究采用Hartree-Fock (HF)理论研究了Triton X-114表面活性剂+亚甲基蓝或水与亚甲基蓝+水的相互作用能。结构和相互作用能的结果表明,这些配合物在原子和分子水平上具有良好的物理和化学相互作用。而Triton X-114表面活性剂+亚甲基蓝配合物则表现出较强的分子相互作用。相互作用能的顺序为:4303.472023 (Triton X-114表面活性剂+水)> 1222.962(亚甲基蓝+水)> 3573.28 (Triton X-114表面活性剂+亚甲基蓝)kJ·mol−1。随后,在表面活性剂浓度为0.01 M ~ 0.1 M的条件下,在313.15 K和323.15 K的混合物中,对15 ppm的亚甲基蓝进行云点萃取。根据实测数据,计算了两相的过量摩尔体积。结果表明,在稀相中存在正偏差,在富表面活性剂相中存在负偏差。证实了由于化学取向和结构取向的存在,Triton X-114与亚甲基蓝的相互作用比其他复杂体系强。研究了混合料中染料和表面活性剂的浓度以及两相的温度效应。此外,还考察了该工艺的热力学可行性和效率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Separation of Methylene Blue Dye from Aqueous Solution Using Triton X-114 Surfactant
In this study, the interaction energy between Triton X-114 surfactant + methylene blue or water and methylene blue + water was investigated using Hartree-Fock (HF) theory with 6- basis set. The results of structures and interaction energies show that these complexes have good physical and chemical interactions at atom and molecular levels. However, the Triton X-114 surfactant + methylene blue complex shows stronger molecular interaction compared to other complexes systems. The order of the interaction energy is 4303.472023 (Triton X-114 surfactant + water) > 1222.962 (methylene blue + water) > 3573.28 (Triton X-114 surfactant + methylene blue) kJ·mole−1. Subsequently, the cloud point extraction was carried out for 15 ppm of methylene blue in a mixture at 313.15 and 323.15 K over the surfactant concentration range from 0.01 M to 0.1 M. From the measured data, the excess molar volume was calculated for both phases. The results show a positive deviation in the dilute phase and a negative deviation in the surfactant rich phase. It is confirmed that the interaction between Triton X-114 and methylene blue is stronger than other complex systems due to the presence of chemical and structural orientation. The concentration of dyes and surfactant in the feed mixture and temperature effect in both phases has been studied. In addition, the thermodynamics feasibility and efficiency of the process have also been investigated.
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