Location dependent orientational structure and dynamics of ethanein ZSM5

被引：21

作者：

Gautam, Siddharth ^{[1
]}

Liu, Tingting ^{[1
]}

Patankar, Sumant ^{[2
]}

Tomasko, David ^{[2
]}

Cole, David ^{[1
]}

机构：

[1] Ohio State Univ, Sch Earth Sci, Mendenhall Lab 275, 125 S Oval Dr, Columbus, OH 43210 USA

[2] Ohio State Univ, William G Lowrie Dept Chem & Biomol Engn, 151 W Woodruff Ave, Columbus, OH 43210 USA

来源：

CHEMICAL PHYSICS LETTERS | 2016年 / 648卷

关键词：

ELASTIC NEUTRON-SCATTERING; MOLECULAR-DYNAMICS; PHASE-BEHAVIOR; SUPERCOOLED WATER; ZEOLITE ZSM-5; SIMULATION; DIFFUSION; PROPANE; CONFINEMENT; ADSORPTION;

D O I：

10.1016/j.cplett.2016.02.021

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Orientational structure and dynamics of ethane confined in ZSM5 zeolite at four different loadings are reported. The effect of pore geometry on ethane is studied by isolating the contribution from ethane molecules in different locations, viz. straight channels, sinusoidal channels and their intersections. Orientational dynamics is found to be hindered in general and exhibits librational motion, with the extant of hindrance being the greatest in sinusoidal channels. Librational motion becomes faster with an increase in loading. This counterintuitive finding is consistent with experiments reported elsewhere and is explained on the basis of a decreased orientational anisotropy at higher loadings. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：130 / 136

页数：7

共 30 条

[1] Dynamics of supercooled water in confined geometry [J].

Bergman, R ;

Swenson, J .

NATURE, 2000, 403 (6767) :283-286

[2] Study of translational and rotational mobility and orientational preference of ethane in one-dimensional channels [J].

Bhide, SY ;

Yashonath, S .

JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (31) :7130-7137

[3] Structural and dynamical properties of guest molecules confined in mesoporous silica materials revealed by NMR [J].

Buntkowsky, Gerd ;

Breitzke, Hergen ;

Adamczyk, Anna ;

Roelofs, Frank ;

Emmler, Thomas ;

Gedat, Egbert ;

Gruenberg, Bob ;

Xu, Yeping ;

Limbach, Hans-Heinrich ;

Shenderovich, Ilja ;

Vyalikh, Anastasia ;

Findenegg, Gerhard .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2007, 9 (35) :4843-4853

[4] Dynamics of absorbed water in saponite clay: Neutron scattering study [J].

Chakrabarty, Debojit ;

Gautam, Siddharth ;

Mitra, S. ;

Gil, Antonio ;

Vicente, Miguel A. ;

Mukhopadhyay, R. .

CHEMICAL PHYSICS LETTERS, 2006, 426 (4-6) :296-300

[5] Diffusion and adsorption of methane confined in nano-porous carbon aerogel: A combined quasi-elastic and small-angle neutron scattering study [J].

Chathoth, Suresh M. ;

Mamontov, Eugene ;

Melnichenko, Yuri B. ;

Zamponi, Michaela .

MICROPOROUS AND MESOPOROUS MATERIALS, 2010, 132 (1-2) :148-153

[6]

Cole DR, 2009, NEUTRON SCATT APPL T, P547, DOI 10.1007/978-0-387-09416-8_19

[7] Structure and dynamics of zeolites investigated by molecular dynamics [J].

Demontis, P ;

Suffritti, GB .

CHEMICAL REVIEWS, 1997, 97 (08) :2845-2878

[8] Diffusion of acetylene inside Na-Y zeolite: Molecular dynamics simulation studies [J].

Gautam, Siddharth ;

Mitra, S. ;

Mukhopadhyay, R. ;

Chaplot, S. L. .

PHYSICAL REVIEW E, 2006, 74 (04)

[9] Molecular dynamics simulation study of meso-confined propane in TiO2 [J].

Gautam, Siddharth ;

Cole, David .

CHEMICAL PHYSICS, 2015, 458 :68-76

[10] Dynamics of Propane in Nanoporous Silica Aerogel: A Quasielastic Neutron Scattering Study [J].

Gautam, Siddharth ;

Liu, Tingting ;

Rother, Gernot ;

Jalaivo, Niina ;

Marmontov, Eugene ;

Welch, Susan ;

Sheets, Julie ;

Droege, Michael ;

Cole, David R. .

JOURNAL OF PHYSICAL CHEMISTRY C, 2015, 119 (32) :18188-18195

← 1 2 3 →