Molecular Dynamics Study of Water Dynamics around the Surfactant Monolayer Adsorbed at the Air/Water Interface

JNANOJJAL CHANDA; SADHAN KUMAR ROY

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Molecular Dynamics Study of Water Dynamics around the Surfactant Monolayer Adsorbed at the Air/Water Interface

机译：空气/水界面吸附的表面活性剂单层周围水动力学的分子动力学研究

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A constant volume and temperature (NVT) molecular dynamics (MD) simulation has been carried out to investigate the properties of a monolayer of monododecyl diethylene glycol (C_(12)E_2) surfactant adsorbed at the air/water interface at a surface coverage corresponding to that at its critical micelle concentration (34 A~2/molecule). The study shows that the surfactant monolayer strongly influences the translational and rotational mobility of interfacial water molecules. A drastic change in the dipolar reorientational motion of water molecules in the aqueous layer is observed with a small variation of distance from the surfactant headgroups.

机译：进行了恒定体积和温度（NVT）分子动力学（MD）模拟，以研究在空气/水界面处吸附的单十二烷基二甘醇（C_（12）E_2）表面活性剂单层的表面覆盖率对应于处于临界胶束浓度（34 A〜2 /分子）。研究表明，表面活性剂单层强烈影响界面水分子的平移和旋转迁移率。观察到水分子在水层中的偶极方向运动急剧变化，与表面活性剂头基的距离变化很小。

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《Science and Culture》 |2017年第8期|243-246|共4页
作者
JNANOJJAL CHANDA; SADHAN KUMAR ROY;
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作者单位

Dept. of Chemsitry,Sonamukhi College, Sonamukhi,Bankura, W.B;

Dept. of Chemsitry,Sonamukhi College, Sonamukhi,Bankura, W.B;

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正文语种 eng
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关键词
Molecular Dynamics; NVT; Monolayer;

机译：分子动力学;NVT;单层;

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专利

1. Molecular dynamics study of surfactant monolayers adsorbed at the oil/water and air/water interfaces [J] . Chanda J, Bandyopadhyay S The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical . 2006,第46期

机译：吸附在油/水和空气/水界面的表面活性剂单分子层的分子动力学研究
2. Monolayer of monododecyl diethylene glycol surfactants adsorbed at the air/water interface: A molecular dynamics study [J] . Bandyopadhyay S., Chanda J. Langmuir: The ACS Journal of Surfaces and Colloids . 2003,第24期

机译：单十二烷基二甘醇表面活性剂单层吸附在空气/水界面的分子动力学研究
3. Molecular dynamics studies on monolayer of cetyltrimethylammonium bromide surfactant formed at the air/water interface [J] . Yuan SL, Ma LX, Zhang XQ, Colloids and Surfaces, A. Physicochemical and Engineering Aspects . 2006,第1a3期

机译：空气/水界面处形成的十六烷基三甲基溴化铵表面活性剂单分子动力学研究
4. THE INTERFACIAL PROPERTIES AND DYNAMICS OF THE SDS-TYPE SURFACTANT MONOLAYER AT THE WATER/TCE INTERFACE: A MOLECULAR DYNAMICS SIMULATION STUDY [C] . Wen-xiong Shi, Hong-xia Guo International symposium on polymer physics : Preprints. . 2010

机译：水/ TCE界面上SDS型表面活性剂单分子膜的界面性质和动力学：分子动力学模拟研究
5. Theoretical identification of alignments for polypeptides adsorbed onto periodic interfaces, and, Molecular dynamics simulation of alcohol monolayers: A study of structure and thermodynamics. [D] . Dai, Yaohua. 2000

机译：吸附在周期性界面上的多肽的比对的理论鉴定，以及醇单分子层的分子动力学模拟：结构和热力学研究。
6. Molecular fragment dynamics study on the water-air interface behavior of non-ionic polyoxyethylene alkyl ether surfactants [O] . Andreas Truszkowski, Annamaria Fiethen, Hubert Kuhn, 2014

机译：非离子型聚氧乙烯烷基醚表面活性剂水-空气界面行为的分子碎片动力学研究
7. The molecular configuration of a DOPA/ST monolayer at the air–water interface : a molecular dynamics study [O] . Kong, C Chuipeng, Peters, EAJF Frank, Zheng, Q-C, 2014

机译：空气-水界面处DOPA / ST单层的分子构型：分子动力学研究
8. Structure of Bilayer-Water and Monolayer-Water Interfaces: A Molecular Dynamics Study [R] . Wilson, Michael A., Pohorille, Andrew 1993

机译：双层 - 水和单层 - 水界面的结构：分子动力学研究

Molecular Dynamics Study of Water Dynamics around the Surfactant Monolayer Adsorbed at the Air/Water Interface

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