Relative packing efficiency in hydrates
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. ISSN 0021-9568Full text not available from this repository.
Official URL: http://dx.doi.org/10.1021/je900253a
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|
|Subjects:||Q Science > QD Chemistry
T Technology > TP Chemical technology
|Divisions:||Faculty of Science > Chemistry|
|Journal or Publication Title:||Journal of Chemical and Engineering Data|
|Publisher:||American Chemical Society|
|Number of Pages:||7|
|Page Range:||pp. 2722-2728|
|Access rights to Published version:||Restricted or Subscription Access|
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