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Relative packing efficiency in hydrates
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Jenkins, H. Donald Brooke, Ponikvar-Svet, Maja and Liebman, Joel F. (2009) Relative packing efficiency in hydrates. Journal of Chemical and Engineering Data, Vol.54 (No.9). pp. 2722-2728. doi:10.1021/je900253a ISSN 0021-9568.
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Official URL: http://dx.doi.org/10.1021/je900253a
Abstract
We define two parameters, Pi(ice) and Pi(parent), estimated from hydrate and parent volumes, to be a measure of the efficiency of the packing of molecules in a hydrate compared on the one hand to that of idealized solid ice and on the other to the parent molecule from which the hydrate is derived. The packing efficiency ratio, Pi(ice)[M-p center dot X-q center dot nH(2)O], is defined for a general hydrate M-p center dot X-q center dot nH(2)O containing p (complex) cations Mq+ and q (complex) anions Xp- by Pi(ice)[hydrate] = [V-at(parent) - V-at(hydrate)/V-at(Parent) - 0.0082] where V-at(parent) and V-at(hydrate) are the average volumes occupied per atom in the parent and hydrate structures, respectively, and 0.0082 corresponds to the average volume per atom in ice. All volumes are measured in units of nm(3). Pi(par)[hydrate] +Pi(ice)[hydrate] = 1. Two simpler indices are studied, Pi and Pi*, and we explore the use of these as a means of categorizing hydrates and defining their domain of existence.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry T Technology > TP Chemical technology |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Journal or Publication Title: | Journal of Chemical and Engineering Data | ||||
Publisher: | American Chemical Society | ||||
ISSN: | 0021-9568 | ||||
Official Date: | September 2009 | ||||
Dates: |
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Volume: | Vol.54 | ||||
Number: | No.9 | ||||
Number of Pages: | 7 | ||||
Page Range: | pp. 2722-2728 | ||||
DOI: | 10.1021/je900253a | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Access rights to Published version: | Restricted or Subscription Access |
Data sourced from Thomson Reuters' Web of Knowledge
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