Simulation of deposition of wax to iron oxide surfaces
UNSPECIFIED. (2001) Simulation of deposition of wax to iron oxide surfaces. MOLECULAR SIMULATION, 26 (3). 193-+. ISSN 0892-7022Full text not available from this repository.
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|
|Subjects:||Q Science > QD Chemistry
Q Science > QC Physics
|Journal or Publication Title:||MOLECULAR SIMULATION|
|Publisher:||GORDON BREACH PUBLISHING, TAYLOR & FRANCIS GROUP|
|Number of Pages:||29|
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