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Molecular simulation of the adsorption of the hydration inhibitor N1,N1’-(ethane-1,2-diethyl)bis(N1-(2-aminoethyl)ethane-1,2-diamine onto montmorillonite

Published online by Cambridge University Press:  09 December 2022

Shi Yuan ,
Xin Zhao ,
Rongchao Cheng ,
Yuanzhi Qu ,
Jiawen Xue ,
Yiang Li ,
Jinsheng Sun  and
Jiafang Xu
Shi Yuan
Affiliation:
School of Petroleum Engineering, China University of Petroleum (East China), Qingdao, 266580, China
Xin Zhao*
Affiliation:
School of Petroleum Engineering, China University of Petroleum (East China), Qingdao, 266580, China Key Laboratory of Unconventional Oil & Gas Development, China University of Petroleum (East China), Ministry of Education, Qingdao, 266580, China
Rongchao Cheng
Affiliation:
CNPC Engineering Technology Research Institute Co., Ltd, Beijing, 102206, China
Yuanzhi Qu
Affiliation:
CNPC Engineering Technology Research Institute Co., Ltd, Beijing, 102206, China
Jiawen Xue
Affiliation:
School of Petroleum Engineering, China University of Petroleum (East China), Qingdao, 266580, China
Yiang Li
Affiliation:
CCCC Marine Construction & Development Co, Ltd, Tianjin, 300453, China
Jinsheng Sun
Affiliation:
School of Petroleum Engineering, China University of Petroleum (East China), Qingdao, 266580, China Key Laboratory of Unconventional Oil & Gas Development, China University of Petroleum (East China), Ministry of Education, Qingdao, 266580, China
Jiafang Xu
Affiliation:
School of Petroleum Engineering, China University of Petroleum (East China), Qingdao, 266580, China Key Laboratory of Unconventional Oil & Gas Development, China University of Petroleum (East China), Ministry of Education, Qingdao, 266580, China
*
*Email: [email protected]
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Abstract

Clay-swelling inhibitors are often used to prevent the hydration of clay minerals, which can reduce the risk of wellbore instability and reservoir damage. The molecular behaviour of clay-swelling inhibitors at the montmorillonite–water interface is crucial for revealing their inhibition mechanisms and for evaluating and designing inhibitor molecules. N1,N1'-(ethane-1,2-diyl)bis(N1-(2-aminoethyl)ethane-1,2-diamine) (NETS), a low-molecular-weight clay-swelling inhibitor, is used widely to prevent clay swelling. Herein, the adsorption mechanism of NETS on the surface of montmorillonite (Mnt) was investigated using molecular dynamics (MD) simulations. In particular, the effects of molecular conformation and temperature on adsorption ability were investigated. The results show that the adsorption ability of NETS on the Mnt surface was affected significantly by the molecular conformation. Specifically, the dihedral angle of NETS adsorbed on the surface of Mnt decreases by ~20° and tends to adsorb on the surface of Mnt in a plane state. In addition, the adsorption stability of NETS on the Mnt surface decreased with increasing temperature, as was found using MD simulations. Detailed analysis shows that increasing temperature can lead to more frequent conformational changes, which weaken the interaction between NETS and Mnt, thus reducing adsorption stability. These molecular insights into the interaction mechanism between NETS and Mnt are beneficial for the evaluation of inhibitory effects and for the selection and molecular design of new clay-swelling inhibitors for use in drilling fluids.

Keywords

adsorptionlow-molecular-weight inhibitormolecular conformationmontmorillonitewellbore instability
Type
Article
Information
Clay Minerals , Volume 57 , Issue 3-4 , September 2022 , pp. 192 - 201
Copyright
Copyright © The Author(s), 2022. Published by Cambridge University Press on behalf of The Mineralogical Society of Great Britain and Ireland

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Footnotes

Editor: Chun Hui Zhou

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