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Arabian Journal for Science and Engineering

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18-01-2022 | Research Article-Petroleum Engineering

Investigation of Adsorption Behaviors of Paraffin Waxes on Iron, Iron II Oxide, and Iron III Oxide Surfaces Using the Adsorption Locator Model

Authors: Ballo Mwendapole Lonje, Gang Liu

Published in: Arabian Journal for Science and Engineering | Issue 9/2022

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Abstract

Waxes deposition in pipelines leads to pressure drop, reduced effective cross-sectional area, and blockages. Although mathematical models and experimental loops were used to model wax precipitation, its prediction at molecular levels is not fully recognized. Molecular dynamics is another powerful approach that can predict wax precipitation at the molecular level. This paper uses molecular dynamics simulations with the adsorption locator model found in Material Studio Software to investigate the adsorption behaviors of Icosane-C₂₀H₄₂, Docosane-C₂₂H₄₆, and Tetracosane-C₂₄H₅₀ paraffin waxes on the Fe, FeO, and Fe₂O₃ pipeline internal surfaces. Modeling is performed by varying temperature values and validated with experimental data. It was found that as the temperature altered, the adsorption on the surfaces also changed; on the other hand, the energetic analysis results showed adsorption energies increase with carbon numbers increase due to their larger surface contacting areas and lower aspect ratio, which resulted in stronger interaction with the surfaces, and the strong interaction of hydrocarbons on the surfaces influence adsorption. Further, paraffin waxes showed to adsorb easily on Fe surface than oxide surfaces. The temperature below wax appearance temperature on both simulations and experiments showed wax deposition. The lower adsorption energy capacity observed on the Fe₂O₃ surface confirms it’s vital and preferable for crude oil transportation pipelines surface lining material.

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Title: Investigation of Adsorption Behaviors of Paraffin Waxes on Iron, Iron II Oxide, and Iron III Oxide Surfaces Using the Adsorption Locator Model
Authors: Ballo Mwendapole Lonje
Gang Liu
Publication date: 18-01-2022
Publisher: Springer Berlin Heidelberg
Published in: Arabian Journal for Science and Engineering / Issue 9/2022
Print ISSN: 2193-567X
Electronic ISSN: 2191-4281
DOI: https://doi.org/10.1007/s13369-021-06522-6

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