Citation: | Li Dongbo, Li Guangzhou, Liu Qinlong, Lu Wei. Mechanisms of hydration inhibition on the surface of montmorillonite in deep shale via molecular dynamic simulation[J]. Journal of Mining Science and Technology, 2023, 8(3): 329-338. doi: 10.19606/j.cnki.jmst.2023.03.006 |
[1] |
Rana A, Khan I, Ali S, et al. Controlling shale swelling and fluid loss properties of water-based drilling mud via ultrasonic impregnated SWCNTs/PVP nanocomposites[J]. Energy & Fuels, 2020, 34(8): 9515-9523.
|
[2] |
Anderson R L, Ratcliffe I, Greenwell H C, et al. Clay swelling—A challenge in the oilfield[J]. Earth-Science Reviews, 2010, 98(3/4): 201-216.
|
[3] |
Muhammed N S, Olayiwola T, Elkatatny S. A review on clay chemistry, characterization and shale inhibitors for water-based drilling fluids[J]. Journal of Petroleum Science and Engineering, 2021, 206: 109043. doi: 10.1016/j.petrol.2021.109043
|
[4] |
Gholami R, Elochukwu H, Fakhari N, et al. A review on borehole instability in active shale formations: Interactions, mechanisms and inhibitors[J]. Earth-Science Reviews, 2018, 177: 2-13. doi: 10.1016/j.earscirev.2017.11.002
|
[5] |
洪祥宇, 徐亨宇, 崔风路, 等. 分子模拟在非常规油气开发中的应用[J]. 计算力学学报, 2021, 38(3): 313-320. https://www.cnki.com.cn/Article/CJFDTOTAL-JSJG202103007.htm
Hong Xiangyu, Xu Hengyu, Cui Fenglu, et al. Application of molecular simulation in unconventional oil and gas development[J]. Chinese Journal of Computational Mechanics, 2021, 38(3): 313-320. https://www.cnki.com.cn/Article/CJFDTOTAL-JSJG202103007.htm
|
[6] |
范竞存, 余昊, 陈杰, 等. 非常规油气开采中的微纳米力学问题研究进展[J]. 中国科学技术大学学报, 2017, 47(2): 142-154. doi: 10.3969/j.issn.0253-2778.2017.02.005
Fan Jingcun, Yu Hao, Chen Jie, et al. Research progress of micro/nano mechanical problems in unconventional oil and gas exploitation[J]. Journal of University of Science and Technology of China, 2017, 47(2): 142-154. doi: 10.3969/j.issn.0253-2778.2017.02.005
|
[7] |
何满潮, 韩宗芳, 杨华. 不同温度下高岭石变形及破坏机理的分子动力学模拟[J]. 矿业科学学报, 2019, 4(1): 8-16. doi: 10.19606/j.cnki.jmst.2019.01.002
He Manchao, Hanzongfang, Yang Hua. Molecular dynamics simulation of deformation and failure mechanism of kaolinite at different temperatures[J]. Journal of Mining Science and Technology, 2019, 4(1): 8-16. doi: 10.19606/j.cnki.jmst.2019.01.002
|
[8] |
Han Z F, Cui Y, Meng Q, et al. The effect of inorganic salt on the mechanical properties of montmorillonite and its mechanism: a molecular dynamics study[J]. Chemical Physics Letters, 2021, 781: 138982. doi: 10.1016/j.cplett.2021.138982
|
[9] |
Zhang Y Y, Xiao C. Molecular dynamics simulation of clay hydration inhibition of deep shale[J]. Processes, 2021, 9(6): 1069. doi: 10.3390/pr9061069
|
[10] |
Planková B, Lísal M. Molecular dynamics of aqueous salt solutions in clay nanopores under the thermodynamic conditions of hydraulic fracturing: Interplay between solution structure and molecular diffusion[J]. Fluid Phase Equilibria, 2020, 505: 112355. doi: 10.1016/j.fluid.2019.112355
|
[11] |
Svoboda M, Lísal M. Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: insight from molecular dynamics simulations[J]. The Journal of Chemical Physics, 2018, 148(22): 222806. doi: 10.1063/1.5017166
|
[12] |
徐加放, 顾甜甜, 沈文丽, 等. 无机盐对蒙脱石弹性力学参数影响的分子模拟与实验研究[J]. 中国石油大学学报: 自然科学版, 2016, 40(2): 83-90. doi: 10.3969/j.issn.1673-5005.2016.02.010
Xu Jiafang, Gu Tiantian, Shen Wenli, et al. Influence simulation of inorganic salts on montmorillonite elastic mechanical parameters and experimental study[J]. Journal of China University of Petroleum: Edition of Natural Science, 2016, 40(2): 83-90. doi: 10.3969/j.issn.1673-5005.2016.02.010
|
[13] |
李小迪. 典型页岩抑制剂抑制蒙脱石水化机理的分子模拟[D]. 东营: 中国石油大学(华东), 2016.
|
[14] |
罗亚飞. Na-蒙脱石表面水化抑制机理的分子模拟[D]. 成都: 西南石油大学, 2019.
|
[15] |
谢刚. 黏土矿物表面水化抑制作用机理研究[D]. 成都: 西南石油大学, 2017.
|
[16] |
Boek E S, Coveney P V, Skipper N T. Molecular modeling of clay hydration: a study of hysteresis loops in the swelling curves of sodium montmorillonites[J]. Langmuir, 1995, 11(12): 4629-4631. doi: 10.1021/la00012a008
|
[17] |
Loewenstein W. The distribution of aluminum in the tetrahedra of silicates and aluminates[J]. American Mineralogist, 1954, 39(1): 92-97.
|
[18] |
Zheng Y, Zaoui A. Mechanical behavior in hydrated Na-montmorillonite clay[J]. Physica A: Statistical Mechanics and Its Applications, 2018, 505: 582-590. doi: 10.1016/j.physa.2018.03.093
|
[19] |
Cygan R T, Liang J J, Kalinichev A G. Molecular models of hydroxide, oxyhydroxide, and clay phases and the development of a general force field[J]. The Journal of Physical Chemistry B, 2004, 108(4): 1255-1266. doi: 10.1021/jp0363287
|
[20] |
Al-Zaoari K, Zheng Y Y, Wei P C, et al. Early stage of swelling process of dehydrated montmorillonite through molecular dynamics simulation[J]. Materials Chemistry and Physics, 2022, 283: 126015. doi: 10.1016/j.matchemphys.2022.126015
|
[21] |
Wei P C, Zhang L L, Zheng Y Y, et al. Nanoscale friction characteristics of hydrated montmorillonites using molecular dynamics[J]. Applied Clay Science, 2021, 210: 106155. doi: 10.1016/j.clay.2021.106155
|
[22] |
况联飞. 饱和蒙脱土高压力学特性基本机制多尺度研究[D]. 徐州: 中国矿业大学, 2013.
|
[23] |
Nosé S. A unified formulation of the constant temperature molecular dynamics methods[J]. The Journal of Chemical Physics, 1984, 81(1): 511-519. doi: 10.1063/1.447334
|
[24] |
Berendsen H J C, Postma J P M, van Gunsteren W F, et al. Molecular dynamics with coupling to an external bath[J]. The Journal of Chemical Physics, 1984, 81(8): 3684-3690. doi: 10.1063/1.448118
|
[25] |
Vaughan M T, Guggenheim S. Elasticity of muscovite and its relationship to crystal structure[J]. Journal of Geophysical Research Atmospheres, 1986, 91(B5): 4657-4664. doi: 10.1029/JB091iB05p04657
|
[26] |
Hashin Z, Shtrikman S. A variational approach to the theory of the elastic behaviour of polycrystals[J]. Journal of the Mechanics and Physics of Solids, 1962, 10(4): 343-352. doi: 10.1016/0022-5096(62)90005-4
|
[27] |
Hashin Z, Shtrikman S. A variational approach to the theory of the elastic behaviour of multiphase materials[J]. Journal of the Mechanics and Physics of Solids, 1963, 11(2): 127-140. doi: 10.1016/0022-5096(63)90060-7
|
[28] |
Hill R. The elastic behaviour of a crystalline aggregate[J]. Proceedings of the Physical Society Section A, 1952, 65(5): 349-354. doi: 10.1088/0370-1298/65/5/307
|
[29] |
张亚云, 陈勉, 邓亚, 等. 温压条件下蒙脱石水化的分子动力学模拟[J]. 硅酸盐学报, 2018, 46(10): 1489-1498. https://www.cnki.com.cn/Article/CJFDTOTAL-GXYB201810022.htm
Zhang Yayun, Chen Mian, Deng Ya, et al. Molecular dynamics simulation of temperature and pressure effects on hydration characteristics of montmorillonites[J]. Journal of the Chinese Ceramic Society, 2018, 46(10): 1489-1498. https://www.cnki.com.cn/Article/CJFDTOTAL-GXYB201810022.htm
|
[30] |
徐加放, 孙泽宁, 刘洪军, 等. 分子模拟无机盐抑制蒙脱石水化机理[J]. 石油学报, 2014, 35(2): 377-384. https://www.cnki.com.cn/Article/CJFDTOTAL-SYXB201402022.htm
Xu Jiafang, Sun Zening, Liu Hongjun, et al. Molecular simulation for inorganic salts inhibition mechanism on montmorillonite hydration[J]. Acta Petrolei Sinica, 2014, 35(2): 377-384. https://www.cnki.com.cn/Article/CJFDTOTAL-SYXB201402022.htm
|
[31] |
Zhang L H, Lu X C, Liu X D, et al. Hydration and mobility of interlayer ions of(Nax, Cay)-montmorillonite: a molecular dynamics study[J]. The Journal of Physical Chemistry C, 2014, 118(51): 29811-29821. doi: 10.1021/jp508427c
|
[32] |
Sposito G, Skipper N T, Sutton R, et al. Surface geochemistry of the clay minerals[J]. PNAS, 1999, 96(7): 3358-3364.
|
[33] |
彭陈亮. 蒙脱石界面水化及疏水调控机理的量子力学/分子动力学研究[D]. 淮南: 安徽理工大学, 2016.
|
[34] |
Li X, Zhu C, Jia Z Q, et al. Confinement effects and mechanistic aspects for montmorillonite nanopores[J]. Journal of Colloid and Interface Science, 2018, 523: 18-26.
|
[35] |
Yu H, Xu H Y, Fan J C, et al. Transport of shale gas in microporous/nanoporous media: molecular to pore-scale simulations[J]. Energy & Fuels, 2021, 35(2): 911-943.
|