Configuration-biased Monte Carlo simulations of poly(vinylpyrrolidone) at a gas hydrate crystal surface
UNSPECIFIED (2000) Configuration-biased Monte Carlo simulations of poly(vinylpyrrolidone) at a gas hydrate crystal surface. In: 3rd International Conference on Gas Hydrates, SALT LAKE CITY, UTAH, JUL 18-22, 1999. Published in: GAS HYDRATES: CHALLENGES FOR THE FUTURE, 912 pp. 658-668.Full text not available from this repository.
In this paper we report the use of Monte Carlo simulation methods to study the properties of both isotactic and atactic PVP near a hydrate surface for polymers with molecular weights up to 12,000 Daltons, Information is presented about the conformation and particle size distribution found for PVP bound to a hydrate surface, and about the adsorption sites and energies involved. These results are found to correlate with the behavior already identified for the vinylpyrrolidone monomer, In particular, the same adsorption sites are evident. In the polymeric case the adsorption of any one unit is less optimal than was found for the monomer, but the trains of adsorbed polymer were found to involve partial occupancy of a succession of monomeric adsorption sites.
|Item Type:||Conference Item (UNSPECIFIED)|
|Series Name:||ANNALS OF THE NEW YORK ACADEMY OF SCIENCES|
|Journal or Publication Title:||GAS HYDRATES: CHALLENGES FOR THE FUTURE|
|Publisher:||NEW YORK ACAD SCIENCES|
|Editor:||Holder, GD and Bishnoi, PR|
|Number of Pages:||11|
|Page Range:||pp. 658-668|
|Title of Event:||3rd International Conference on Gas Hydrates|
|Location of Event:||SALT LAKE CITY, UTAH|
|Date(s) of Event:||JUL 18-22, 1999|
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