文献类型：期刊文献

英文题名：Energetics of Confinement of n-Hexane in Ca-Na Ion Exchanged Zeolite A

作者：Sun, Hui[1,2,3];Wu, Di[2,3];Guo, Xiaofeng[2,3];Shen, Benxian[1];Liu, Jichang[1];Navrotsky, Alexandra[2,3]

机构：[1]E China Univ Sci & Technol, State Key Lab Chem Engn, Shanghai 200237, Peoples R China;[2]Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA;[3]Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA

年份：2014

卷号：118

期号：44

起止页码：25590

外文期刊名：JOURNAL OF PHYSICAL CHEMISTRY C

收录：;EI(收录号：20144600189522);WOS:【SCI-EXPANDED(收录号:WOS:000344579300032)】；

基金：H.S. is grateful to the National Natural Science Foundation of China for financial support under the National Natural Science Fund for Young Scholar (No. 21201063), the Ministry of Education of Republic of China for financial support under the Specialized Research Fund for the Doctoral Program of Higher Education of China (SRFDP) (No. 20110074120020) and the Fundamental Research Funds for the Central Universities, and the China Scholarship Council for the State Scholarship Fund (No. 201308310077). The calorimetric work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, grant DE-FG02-05ER15667.

语种：英文

外文关键词：Zeolites - Ion exchange - Microporous materials - Binary alloys - Calcium - Hexane - Mass spectrometry - Pore size - Temperature programmed desorption

摘要：Study of the energetics of confinement of small organic molecules in microporous frameworks provides essential information for rational design and application of functional porous materials. Using immersion calorimetry and temperature-programmed desorption coupled with mass spectroscopy, we describe the complex guesthost interactions of a nonpolar organic molecule (n-hexane) with a series of calcium-exchanged zeolite A materials whose pore accessibility was modified by varying the calcium content to achieve inaccessible, partially accessible, and fully accessible central cavities for n-hexane molecules. The overall magnitude and trend with the pore size of n-hexanezeolite A interactions have been determined. In addition, the contributions to energetics from the external surface (triangle H-wet), tetrahedral framework (triangle Hg-h), and adjacent n-hexane molecules (triangle Hg-g) were separated, quantified, and interpreted.