期刊文献+

水和盐分子在反渗透膜内扩散过程的分子模拟 被引量:17

Water and Salts Molecular Simulation of Diffusion Process in Reverse Osmosis Membrane
下载PDF
导出
摘要 采用分子动力学模拟方法研究了水和盐分子(NaCl,MgCl2,CaSO4,K2SO4)在8种反渗透复合膜中的扩散状态及扩散系数.并对膜材料的结构单体与水和盐分子在膜内扩散系数相关性进行了分析与讨论.在所模拟的8种膜内,随着膜种类的不同,水分子在其中的扩散系数有明显的变化,且扩散系数的变化规律与实验所得到的膜的水通量一一对应.NaCl分子中的Na+和Cl-在膜内的扩散速率不一致,其扩散系数值在同种膜中相差较大,且当盐分子单独存在时,制约其在膜内扩散过程的离子只与膜种类有关,与盐分子本身无关.在同种膜中,水分子的扩散过程不受体系中盐分子类型的影响. In this paper, we used molecular dynamic simulation method to study the diffusion process and dif- fusion coefficient of small molecules in reverse osmosis membrane, and made an analysis and discussion of relationship between the membranous structure monomer and the diffusion coefficients of small molecules in membrane. Among the eight kinds of membranes, diffusion coefficent of water changed obviously in different membranes and the changing direction was in accordance with experimental values. In eight kinds of mem- branes we simulated, the diffusion coefficient value of Na^+ and C1^- had much difference. The movement of NaCl molecule was restricted by the ions which moves slowly. Diffusion process of salt molecule in the membrane was only restricted by the membrane species, without relationship with salt molecules itself. Movement of molecule of water was not affected by the kinds of salt molecules in the same membrane.
出处 《高等学校化学学报》 SCIE EI CAS CSCD 北大核心 2009年第3期568-572,共5页 Chemical Journal of Chinese Universities
基金 青岛农业大学高层次人才启动基金(批准号:630802)资助
关键词 分子模拟 反渗透膜 扩散系数 膜材料 Molecular simulation Reverse osmosis membrane Diffusion coefficient Membrane material
  • 引文网络
  • 相关文献

参考文献12

  • 1徐南平,高从堦,时钧.我国膜领域的重大需求与关键问题[J].中国有色金属学报,2004,14(F01):327-331. 被引量:24
  • 2Yan H. , Murad S.. Fluid Phase Equilibria[J], 2001, 183/184:279--287
  • 3Hofmann D. , Fritz L. , Ulbrich J. , et al.. Computational and Theoretical Polymer Science[J].2000, 10:419--436
  • 4Tung K. L. , Lu K. T.. J. Membr. Sci. [J] , 2006, 272:37--49
  • 5王淑梅,高光华,于养信,王晓琳.氮气和氧气在膜表面和狭缝孔内平衡吸附的分子模拟[J].高等学校化学学报,2005,26(11):2113-2116. 被引量:5
  • 6李奕杰,魏东山,金熹高,韩志超,廖琦.受限状态聚合物熔体的分子动力学模拟[J].高等学校化学学报,2007,28(5):992-995. 被引量:1
  • 7Kotelyanskii M. , Wagner N. , Paulaitis M.. J. Membrane Sci. [J] , 1998, 139:1--16
  • 8Kotelyanskii M., Wagner N., Paulaitis M.. Macromolecules[J], 1996, 29:8497--8506
  • 9Kotelyanskii M. , Wagner N. , Paulaitis M.. Computational and Theoretical Polymer Science[ J] , 1999,9:301--306
  • 10Lipp P. , Gimbel R. , Frimmel F. H.. J. Membr. Sci. [J], 1994, 95:185--197

二级参考文献36

  • 1魏东山,李奕杰,廖琦,金熹高.高分子相分离的分子动力学模拟[J].高等学校化学学报,2006,27(1):156-160. 被引量:6
  • 2Jonquieres A, Clemnet R, Lochon P, et al. Industrial state-of-the -art of pervaporation and vapor permeation in the western countries[J]. J Membr Sci, 2002, 206:87 - 117.
  • 3Wynn N. Pervaporation of comes of age[J]. Chem Eng Prog, 2001, 97(10): 66 - 72.
  • 4Ren J, Fan Y, Egolfopoulos F N, et al. Membranebased reactive separations for power generation applications: oxygen lancing[J]. Chem Eng Sci, 2003, 58:1043 - 1052.
  • 5Jin W, Li S, Huang P, et al. Tubular lanthanum cobaltite perovskite membrane reactors for partial oxidation of methane to syngas[J]. J Membrane Sci,2000, 166(1) :13- 22.
  • 6Baker R W. Future directions of membrane gas separation technology[J]. Ind Eng Chem Res, 2002, 41:1393 - 1411.
  • 7徐南平 李世光 金万勤.一种混合导电型致密透氧膜材料[P].中国专利,ZL98111285.4.2002-01-09.
  • 8Li S, Jin W, Huang P, et al. Perovskite-related ZrO2-doped SrCo0.4 Fe0.6 O3_б membrane for oxygen permeation[J]. AIChE J, 1999, 45:276 - 284.
  • 9GU Xue-hong, JIN Wan-qin, CHEN Chang-lin, et al. YSZ-SrCo0.4 Fe0.6 O3-δ membranes for the partial oxidation of methane to syngas[J]. AIChE J, 2002,48(9), 2051 - 2060.
  • 10徐南平 范益群 向柠.无机膜集成技术超细粉体的制备方法[P].中国专利,ZL00119077.6.2003-08-20.

共引文献27

同被引文献163

引证文献17

二级引证文献65

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部