Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Studies on the density profiles of square-well chain fluid confined in a slit pore by density functional theory

Ye Zhen-Cheng Cai Jun Zhang Shu-Ling Liu Hong-Lai Hu Ying

Citation:

Studies on the density profiles of square-well chain fluid confined in a slit pore by density functional theory

Ye Zhen-Cheng, Cai Jun, Zhang Shu-Ling, Liu Hong-Lai, Hu Ying
PDF
Get Citation

(PLEASE TRANSLATE TO ENGLISH

BY GOOGLE TRANSLATE IF NEEDED.)

  • The density profiles of square-well chain fluid confined in two planar walls are calculated using density-functional theory based on the weighted-density appro ximation of Yethiraj. The free energy functional of the system consists of an id eal part and excess part. We obtain the excess part by the equation of state of corresponding uniform system combined with the weighted-density approximation. We adopted respectively the equations of state based on cavity correlation fun ction and the statistically associating fluid theory. The calculated density pro files are compared with the corresponding Monte Carlo simulation data at differe nt chain lengths, temperatures, volume fractions and different attractions of t he wall. For a square-well chain fluid confined in two hard planar walls, result s from both equations of state are in good agreement with that of the Monte Car lo simulations at high temperature and high volume fraction. Both results devia te from the Monte Carlo result at low temperature and low volume fraction. The density profile in hard wall slit pore calculated from the equation of state of SAFT-VR is in better agreement with the available simulation data than that fro m the equation of state developed by Liu et al. We find that the equation of st ate has significant influence on theoretical prediction. For the walls with attr active forces, predictions from both equations of state deviate from the simula tion data. This deviation results from the increasing non-uniformity of the flu ids. Therefore, more suitable weighted-density function is needed to improve the density-functional theory.
Metrics
  • Abstract views:  7208
  • PDF Downloads:  1315
  • Cited By: 0
Publishing process
  • Received Date:  26 November 2004
  • Accepted Date:  21 December 2004
  • Published Online:  20 September 2005

/

返回文章
返回