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A mechanistic study of low-dosage inhibitors of clathrate hydrate formation
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Storr, M. T., Rodger, P. M., Montfort, J.-P. and Jussaume, L. (2001) A mechanistic study of low-dosage inhibitors of clathrate hydrate formation. In: 1st International Conference on Molecular Modeling and Simulation, Keystone, Co, Jul 23-28, 2000. Published in: Foundations of Molecular Modeling and Simulation, 97 (325). pp. 256-259. ISBN 0816908397. ISSN 0065-8812.
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Abstract
In this paper we present results from a combined theoretical and experimental study of low dosage inhibitors (LDIs) for hydrate formation. Molecular dynamics and Monte Carlo simulations have been used to develop a detailed analysis of the structural changes that occur on the molecular level when inhibitors are added to a hydrate interface. The results are compared with experimental measurements of the LDI activity, performed as part of this study. The combination of molecular modelling and experimental probes is shown to give valuable insight into the mechanisms of inhibition.
Item Type: | Conference Item (Paper) | ||||
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Subjects: | T Technology > TP Chemical technology | ||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry | ||||
Series Name: | Aiche Symposium Series | ||||
Journal or Publication Title: | Foundations of Molecular Modeling and Simulation | ||||
Publisher: | American Institute of Chemical Engineers | ||||
ISBN: | 0816908397 | ||||
ISSN: | 0065-8812 | ||||
Editor: | Cummings, PT and Westmoreland, PR | ||||
Official Date: | 2001 | ||||
Dates: |
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Volume: | 97 | ||||
Number: | 325 | ||||
Number of Pages: | 4 | ||||
Page Range: | pp. 256-259 | ||||
Status: | Peer Reviewed | ||||
Publication Status: | Published | ||||
Conference Paper Type: | Paper | ||||
Title of Event: | 1st International Conference on Molecular Modeling and Simulation | ||||
Type of Event: | Conference | ||||
Location of Event: | Keystone, Co | ||||
Date(s) of Event: | Jul 23-28, 2000 | ||||
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