Computer-assisted design of oil additives: hydrate and wax inhibitors
UNSPECIFIED (2004) Computer-assisted design of oil additives: hydrate and wax inhibitors. In: 2nd International Conference on Foundations of Molecular Modelling and Simulation, Keystone, CO, JUL 06-11, 2003. Published in: MOLECULAR PHYSICS, 102 (2). pp. 203-210.Full text not available from this repository.
Official URL: http://dx.doi.org/10.1080/00268970310001648717
In this paper we present the results of a molecular simulation study of low dosage anti-freeze agents for two common problems that occur during oil and gas transport: gas hydrate crystallization and wax deposition. Direct molecular dynamics simulations are presented of the nucleation and growth of methane hydrate from a liquid water film, and of the suppression of this growth in the presence of a well-known kinetic inhibitor--polyvinylpyrrolidone. In the case of wax inhibition we present a simple model for predicting the activity of comb-like polymers, which is likely to be useful for identifying the most active inhibitor from within a given class. The method is applied to a set of random copolymers and shown to correlate well with experimental data.
|Item Type:||Conference Item (UNSPECIFIED)|
|Subjects:||Q Science > QC Physics|
|Journal or Publication Title:||MOLECULAR PHYSICS|
|Publisher:||TAYLOR & FRANCIS LTD|
|Official Date:||20 January 2004|
|Number of Pages:||8|
|Page Range:||pp. 203-210|
|Title of Event:||2nd International Conference on Foundations of Molecular Modelling and Simulation|
|Location of Event:||Keystone, CO|
|Date(s) of Event:||JUL 06-11, 2003|
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