Version 1
: Received: 9 July 2024 / Approved: 10 July 2024 / Online: 10 July 2024 (05:07:54 CEST)
How to cite:
Sharif, F. M.; Murad, S.; Manji, S. T. Enhancing Understanding of Siloxane Surface Properties and Functional Group Effects on Water Deoxygenation. Preprints2024, 2024070814. https://doi.org/10.20944/preprints202407.0814.v1
Sharif, F. M.; Murad, S.; Manji, S. T. Enhancing Understanding of Siloxane Surface Properties and Functional Group Effects on Water Deoxygenation. Preprints 2024, 2024070814. https://doi.org/10.20944/preprints202407.0814.v1
Sharif, F. M.; Murad, S.; Manji, S. T. Enhancing Understanding of Siloxane Surface Properties and Functional Group Effects on Water Deoxygenation. Preprints2024, 2024070814. https://doi.org/10.20944/preprints202407.0814.v1
APA Style
Sharif, F. M., Murad, S., & Manji, S. T. (2024). Enhancing Understanding of Siloxane Surface Properties and Functional Group Effects on Water Deoxygenation. Preprints. https://doi.org/10.20944/preprints202407.0814.v1
Chicago/Turabian Style
Sharif, F. M., Sohail Murad and Saif Talal Manji. 2024 "Enhancing Understanding of Siloxane Surface Properties and Functional Group Effects on Water Deoxygenation" Preprints. https://doi.org/10.20944/preprints202407.0814.v1
Abstract
The de-oxygenation process in water used in well injection operations is an important matter to eliminate corrosion in petroleum industry. This study used molecular dynamics simulations to understand the behavior of siloxane surface through studding the surface properties with two functional groups attached to the end of siloxane and their effect on de-oxygenation process. The simulations were performed using LAMMPS to characterize of surface properties. Jmol software was used to generate siloxane chains with (8, 20, and 35) repeat units. Firstly, we evaluated properties such as total energy, surface tension and viscosity. Then, we used siloxane as a membrane to compare the efficiency of de-oxygenation for the both types of functional groups. The results indicated that longer chains length increased total energy, viscosity while decreased surface tension. Replacing methyl groups with trifluoromethyl (CF3) groups increased all the above mentioned properties in varying proportions. Trifluoromethyl (CF3) groups showed better removal efficiency than methyl (CH3) groups but allowed more water to pass. Furthermore, the simulations were run using the class II potential developed by Sun, Rigby, and others within an explicit-atom (EA) model.
Copyright:
This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
