Structure and transport properties of liquid alkanes in the vicinity of [alpha]-quartz surfaces

Structure and mass transport properties of several liquid n-alkanes, methane, decane and tetracosane, in the vicinity of [alpha]-quartz surfaces of three crystal planes have been investigated by using molecular dynamics simulations. Solid [alpha]-quartz surfaces were terminated with -H and -OH group...

Full description

Saved in:
Bibliographic Details
Published inInternational journal of heat and mass transfer Vol. 79; pp. 846 - 857
Main Authors Chilukoti, Hari Krishna, Kikugawa, Gota, Ohara, Taku
Format Journal Article
LanguageEnglish
Published 01.12.2014
Subjects
Alkanes
Crystals
Liquids
Methane
Molecular structure
Planes
Surface chemistry
Transport properties
Online AccessGet full text

Cover

More Information
Summary:Structure and mass transport properties of several liquid n-alkanes, methane, decane and tetracosane, in the vicinity of [alpha]-quartz surfaces of three crystal planes have been investigated by using molecular dynamics simulations. Solid [alpha]-quartz surfaces were terminated with -H and -OH groups to create hydrophobic and hydrophilic surfaces, respectively. It was observed that adsorption of the liquid alkane molecules is more noticeable near the (001) crystal plane when compared with other two planes (011) and (100). At the same reduced temperature, a tendency was observed that the in-plane diffusion near the H-terminated and OH-terminated surfaces for three crystal planes increases with an increase in the chain length of the liquid alkanes.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
content type line 23
ObjectType-Feature-2
ISSN:0017-9310
DOI:10.1016/j.ijheatmasstransfer.2014.08.089