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用碳氟表面活性剂对γ-氧化铝和氧化镁纳米颗粒进行功能化以促进超气体湿润表面:实验与理论方法

Functionalization of γ-Alumina and Magnesia Nanoparticles with a Fluorocarbon Surfactant to Promote Ultra-Gas-Wet Surfaces: Experimental and Theoretical Approach.

作者信息

Villegas Juan Pablo, Moncayo-Riascos Ivan, Galeano-Caro Dahiana, Riazi Masoud, Franco Camilo A, Cortés Farid B

机构信息

Grupo de Investigación en Fenómenos de Superficie-Michael Polanyi, Facultad de Minas, Universidad Nacional de Colombia Sede Medellín, Kra 80 No. 65-223, Medellín 050034, Colombia.

Department of Petroleum Engineering, School of Chemical and Petroleum Engineering, Shiraz University, Shiraz 7193616511, Iran.

出版信息

ACS Appl Mater Interfaces. 2020 Mar 18;12(11):13510-13520. doi: 10.1021/acsami.9b22383. Epub 2020 Mar 5.

DOI:10.1021/acsami.9b22383
PMID:32092269
Abstract

A promising alternative to improve the ultra-gas-wet alteration process by the addition of nanoparticles was developed. This study is focused on studying the functionalization process of nanoparticles of γ-alumina (γ-AlO) and magnesia (MgO) using a commercial fluorocarbon surfactant (SYLNYL-FSJ), from an experimental and theoretical approach. Different fluorocarbon surfactant concentrations were used in the functionalization process of the nanoparticles, and the materials obtained were characterized by Fourier-transform infrared spectroscopy (FTIR) and dynamic light scattering (DLS). The experimental setup of the interaction between the surfactant and nanoparticles was reproduced by molecular simulations in order to obtain physical insights into the adsorption process. Experimental results show a suitable functionalization for both nanoparticles with the fluorocarbon surfactant. The γ-AlO nanoparticles showed better behavior based on the obtained nonfrictional conditions, which lead the water and -decane droplets to slide on the rock surface coated with the functionalized nanoparticles. The experimental contact angles on the functionalized γ-AlO nanoparticles were reproduced by molecular dynamics simulations. From the interaction energies' evaluation, it was also determined that alumina nanoparticles could reduce the adhesive energy to 0.01 kcal mol, regarding magnesia nanoparticles. Also, a significant difference was obtained for the surfactant-liquid interactions between the two nanoparticles evaluated, with changes of 17% for surfactant-water interactions and 28% for the surfactant--decane. The obtained results explain the pronounced increase for the contact angles of decane on the functionalized γ-AlO nanoparticles.

摘要

开发了一种通过添加纳米颗粒来改进超气湿改变过程的有前景的替代方法。本研究聚焦于从实验和理论方法出发,使用商用碳氟表面活性剂(SYLNYL-FSJ)研究γ-氧化铝(γ-AlO)和氧化镁(MgO)纳米颗粒的功能化过程。在纳米颗粒的功能化过程中使用了不同浓度的碳氟表面活性剂,通过傅里叶变换红外光谱(FTIR)和动态光散射(DLS)对所得材料进行了表征。通过分子模拟重现了表面活性剂与纳米颗粒之间相互作用的实验装置,以便对吸附过程获得物理见解。实验结果表明,碳氟表面活性剂对两种纳米颗粒都有合适的功能化作用。基于所获得的非摩擦条件,γ-AlO纳米颗粒表现出更好的性能,这使得水和癸烷液滴能够在涂有功能化纳米颗粒的岩石表面滑动。通过分子动力学模拟重现了功能化γ-AlO纳米颗粒上的实验接触角。通过相互作用能评估还确定,与氧化镁纳米颗粒相比,氧化铝纳米颗粒可将粘附能降低至0.01 kcal/mol。此外,在所评估的两种纳米颗粒之间的表面活性剂-液体相互作用方面也获得了显著差异,表面活性剂-水相互作用变化了17%,表面活性剂-癸烷相互作用变化了28%。所得结果解释了癸烷在功能化γ-AlO纳米颗粒上接触角的显著增加。

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