Effects of Electric Field on the Vapor鈥揕iquid Equilibria of Nanoconfined Methanol and Ethanol

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• 作者：Debdip Bhandary ; Kartik Srivastava ; Rajat Srivastava ; Jayant K. Singh
• 刊名：Journal of Chemical & Engineering Data
• 出版年：2014
• 出版时间：October 9, 2014
• 年：2014
• 卷：59
• 期：10
• 页码：3090-3097
• 全文大小：426K
• ISSN：1520-5134

文摘

The effects of the electric field on the vapor鈥搇iquid equilibria of methanol and ethanol confined in a graphitic slit pore of width 4 nm using molecular dynamics simulations are reported. The vapor鈥搇iquid critical temperature of methanol gets suppressed under confinement. The external electrical field further decreases the critical temperature with increasing electric field strength up to E = 1.5 V路nm^鈥?. Surprisingly, a further increase in the electric field strength reverses the critical temperature behavior and is seen to increase with increasing electric field. The reversible behavior of the critical temperature with the electric field is also seen for nanoconfined ethanol at approximately 1.5 V路nm^鈥?. The critical density, on the other hand, is found to continuously decrease with increasing electric field strength. Application of an external electric field results in the decrease in vapor and liquid densities. The coordination number in the liquid phase is found to decrease first with increasing electric field until E = 1.5 V路nm^鈥? and then increases with a further increase in the electric field, confirming the observed trend in the critical temperature according to the mean field theory. Orientational order of nanoconfined methanol and ethanol, on the other hand, is found to increase with increasing electric field.