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Simulation of deposition of wax to iron oxide surfaces
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UNSPECIFIED (2001) Simulation of deposition of wax to iron oxide surfaces. MOLECULAR SIMULATION, 26 (3). 193-+. ISSN 0892-7022.
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Abstract
Molecular dynamics techniques have been used to model the processes associated with the deposition of alkanes on a hematite surface, and the subsequent growth of an alkane crystal. First we have obtained a relaxed (0001)-hematite surface; this is believed to be the most common surface exhibited on the pipeline walls. Subsequently, the adsorption of two different linear alkanes has been examined: C-12 and C-28. The principal adsorption site for both has been determined and consisted of the molecule lying between two parallel rows of iron atoms. The subsequent addition of alkane molecules generates a crystalline structure, which corresponds closely with C-28 crystal growth along the (010) direction.
Item Type: | Journal Article | ||||
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Subjects: | Q Science > QD Chemistry Q Science > QC Physics |
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Journal or Publication Title: | MOLECULAR SIMULATION | ||||
Publisher: | GORDON BREACH PUBLISHING, TAYLOR & FRANCIS GROUP | ||||
ISSN: | 0892-7022 | ||||
Official Date: | 2001 | ||||
Dates: |
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Volume: | 26 | ||||
Number: | 3 | ||||
Number of Pages: | 29 | ||||
Page Range: | 193-+ | ||||
Publication Status: | Published |
Data sourced from Thomson Reuters' Web of Knowledge
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