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OALib Journal期刊
ISSN: 2333-9721
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表面活性剂对co2中表面润湿的分子动力学模拟
DOI: 10.3969/j.issn.1671-7627.2013.05.003, PP. 13-18
Keywords: 分子动力学模拟,表面活性剂,润湿性,co2
Abstract:
通过分子模拟方法,研究稠密co2溶剂中,全氟聚醚表面活性剂对水在3种不同亲水表面的润湿性的影响。结果表明:对于疏水性表面,表面活性剂部分取代存在于水滴和表面之间的co2分子;对于弱亲水性表面,表面活性剂的加入使得水滴基本脱离表面;而在强亲水表面上,表面活性剂的加入增大水滴的接触角,减弱表面润湿性。同时进一步分析表面活性剂在水/co2界面处的密度分布。总之,在稠密co2溶剂中,表面活性剂能够改善表面的润湿性,这将有利于表面上亲水物质的脱除。
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