Thermodynamic characterization of two layers of CO2 on a graphite surface

被引：0

作者：

Trinh, T.T. ^{[1
]}

Bedeaux, D. ^{[1
]}

Simon, J.-M. ^{[2
]}

Kjelstrup, S. ^{[1
,3
]}

机构：

[1] Department of Chemistry, Norwegian University of Science and Technology, Trondheim, Norway

[2] Laboratoire Interdisciplinaire Carnot de Bourgogne, UMR-6303 CNRS-Université de Bourgogne, Dijon, France

[3] Department of Process and Energy Laboratory, Delft University of Technology, Delft, Netherlands

来源：

Chemical Physics Letters | 2014年 / 612卷

关键词：

Graphite;

D O I：

暂无

中图分类号：

O61 [无机化学]; TQ [化学工业];

学科分类号：

070301 ; 0817 ; 081704 ;

摘要：

We find by examination of density profiles that carbon dioxide adsorbs on graphite in two distinct layers. We report the activity coefficient, entropy and enthalpy for CO2 in each layer using a convenient computational method, the Small System Method, thereby extending this method to surfaces. This opens up the possibility to study thermodynamic properties for a wide range of surface phenomena. © 2014 The Authors.

引用

页码：214 / 218

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