Effects of PVP and NaCl on the decomposition of methane hydrate by MD simulation
Effects of PVP and NaCl on the decomposition of methane hydrate by MD simulation
复制标题
MD模拟PVP和NaCl对甲烷水合物分解的影响
DOI：
10.1016/j.colsurfa.2021.127817
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发表时间：
2021-10
期刊：
影响因子：
--
通讯作者：
Jingping Liu
中科院分区：
文献类型：
--
作者：
Jianwei Zhao;Jin Jiafeng;Kaihe Lv;Jinsheng Sun;Ren Wang;Jintang Wang;Xuan Guo;Qilin Hou;Jia Liu;Yingrui Bai;Huang Xianbin;Jingping Liu
天然气水合物被认为是最有希望的替代能量之一，而井眼崩溃和气体侵入通常是由于钻孔过程中的水合分解而发生的。在这项研究中，NaCl和PVP的组合仍然尚不清楚。分子动力学方法通过甲烷分子的数量分布进行了研究。吸引甲烷分子。自由能和剪切粘度用于揭示协同抑制的机制。 0.10 kJ/mol和1.67±0.26 MPa·s。以及纳米泡的形成，也有助于解决钻孔的含水合物沉积物期间的孔不稳定性和气体入侵的问题。
Natural gas hydrate has been regarded as one of the most promising alternative energy, while wellbore collapse and gas intrusion often occur due to hydrate decomposition during the drilling process. Both NaCl and PVP can be used as the inhibitor for hydrate decomposition, but the inhibition decomposition mechanism of the combination of NaCl and PVP still remains to be unclear. In this study, the synergies of NaCl and PVP on the inhibition of hydrate decomposition were investigated through the molecular dynamics approach. The F4 order parameters, the RDF, and the hydrate configuration were used to characterize the dynamic decomposition process of hydrate. Results show that the combination exhibits the optimal performance of inhibition decomposition compared with NaCl or PVP alone. Meanwhile, nanobubble formation is investigated by the number density distribution of methane molecules. Results show that NaCl promotes the accumulation of methane molecules, while PVP attracts methane molecules. The aggregation level of methane molecules in the 15 wt% NaCl/PVP system is lower than in the 15 wt% NaCl system because of the steric hindrance generated by the PVP molecule. The MSD, the number of cages, the hydration free energy, and the shear viscosity were used to reveal the mechanism of the synergistic inhibition. Results show that the hydration-free energy and shear viscosity of the 15 wt% NaCl/PVP is 11.69 ± 0.10 kJ/mol and 1.67 ± 0.26 mPa·s. The mixtures of NaCl and PVP exhibit synergistic inhibition by enhancing the hydration free energy and the shear viscosity of the solutions. This work provides an insight into the effects of PVP and NaCl on hydrate decomposition and the formation of nanobubbles. And it also contributes to solving the problems of wellbore instability and gas invasion during drilling hydrate-bearing sediments.
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DOI：
10.1111/j.1749-6632.2000.tb06795.x
发表时间：
2000-01
影响因子：
5.2
作者：
K. Østergaard;B. Tohidi;A. Danesh;A. Todd
通讯作者：
K. Østergaard;B. Tohidi;A. Danesh;A. Todd
砂质粉质粘土沉积物甲烷水合物分解过程中沉积物变形的实验研究
影响因子：
7.4
作者：
Han Han;Wang Yi;Li Xiao-Sen;Yu Jian-Xing;Feng Jing-Chun;Zhang Yu
通讯作者：
Zhang Yu
影响因子：
2.1
作者：
J. Zhang;S. Piana;R. Freij-Ayoub;M. Rivero;S. Choi
通讯作者：
J. Zhang;S. Piana;R. Freij-Ayoub;M. Rivero;S. Choi
影响因子：
4.7
作者：
Zhao, Xin;Qiu, Zhengsong;Zhang, Yubin
通讯作者：
Zhang, Yubin
DOI：
10.1021/acs.langmuir.7b02238
发表时间：
2017-08
期刊：
Langmuir : the ACS journal of surfaces and colloids
影响因子：
--
作者：
Dongliang Jin;B. Coasne
通讯作者：
Dongliang Jin;B. Coasne