Volume 40 Issue 5
Dec.  2023
Turn off MathJax
Article Contents
Article Navigation >  DRILLING FLUID & COMPLETION FLUID  > 2023  >  40(5): 670-677
CHEN Yufei, WU Tong, ZHANG Hui, et al.Study on solubilization behavior of molecular simulation cosolvent in siloxane SC-CO2 fracturing fluid[J]. Drilling Fluid & Completion Fluid，2023, 40（5）：670-677 doi: 10.12358/j.issn.1001-5620.2023.05.018
Citation: CHEN Yufei, WU Tong, ZHANG Hui, et al.Study on solubilization behavior of molecular simulation cosolvent in siloxane SC-CO2 fracturing fluid[J]. Drilling Fluid & Completion Fluid，2023, 40（5）：670-677 doi: 10.12358/j.issn.1001-5620.2023.05.018
shu

Study on Solubilization Behavior of Molecular Simulation Cosolvent in Siloxane SC-CO2 Fracturing Fluid

doi: 10.12358/j.issn.1001-5620.2023.05.018
  • 1.

    China University of Petroleum-Beijing, Beijing 102249

  • 2.

    State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu, Sichuan 610500

  • 3.

    China University of Petroleum-Beijing at Karamay, Karamay, Xinjiang 834000

  • 4.

    CNPC Drilling Engineering Technology Research Institute, Beijing 102249

  • Received Date: 2023-02-15
  • Rev Recd Date: 2023-05-30
  • Publish Date: 2023-12-25
    Abstract
  • Due to the low viscosity of supercritical carbon dioxide fracturing fluid system, the method of adding tackifier is generally used to overcome the problem of low sand carrying efficiency. Siloxane tackifiers are widely used due to their low cohesive energy and good tackifying effect, but it is necessary to add cosolvent to improve the dissolution effect. Therefore, in this paper, the widely used polydimethylsiloxane was selected as the research object, and the effect of the addition of cosolvents such as methanol, toluene and cyclohexane on the dissolution behavior of polydimethylsiloxane in SC-CO2 system was studied by molecular simulation. Based on the binding energy, cohesive energy density and radial distribution function of solvent-solvent and solvent-solute, the solubilization effect of polar cosolvent and non-polar cosolvent on polydimethylsiloxane in supercritical carbon dioxide fracturing fluid system was compared and analyzed. The molecular simulation results show that the solubility parameter difference between methanol and solvent system is less than 0.5 at the same cosolvent content, and the solubilization effect is better than that of toluene and cyclohexane. The conclusion is that the essence of using cosolvent to improve the solubility of PDMS in SC-CO2 is the balance of the intermolecular force between CO2 and PDMS polymer, the intermolecular force between CO2 and cosolvent, and the intermolecular force between PDMS polymer and cosolvent. Therefore, when the siloxane tackifier itself is a non-polar material, toluene is recommended as a cosolvent. When the siloxane material has a certain weak polarity, methanol is the most suitable.

     

    • FullText(HTML)
  • loading
    • References(36)
  • [1]
    王海柱,李根生,贺振国,等. 超临界CO2岩石致裂机制分析[J]. 岩土力学,2018,39(10):3589-3596.

    WANG Haizhu, LI Gensheng, HE Zhenguo, et al. Analysis of mechanisms of supercritical CO2 fracturing[J]. Rock and Soil Mechanics, 2018, 39(10):3589-3596.
    [2]
    赵金洲,任岚,蒋廷学,等. 中国页岩气压裂十年: 回顾与展望[J]. 天然气工业,2021,41(8):121-142.

    ZHAO Jinzhou, REN Lan, JIANG Tingxue, et al. Ten years of gas shale fracturing in China: review and prospect[J]. Natural Gas Industry, 2021, 41(8):121-142.
    [3]
    郑永,王海柱,李根生,等. 超临界CO2压裂迂曲裂缝内支撑剂运移特征[J]. 天然气工业,2022,42(3):71-80.

    ZHENG Yong, WANG Haizhu, LI Gensheng, et al. Proppant transport characteristics in tortuous fractures induced by supercritical CO2 fracturing[J]. Natural Gas Industry, 2022, 42(3):71-80.
    [4]
    HELLER J P, DANDGE D K, CARD R J, et al. Direct thickeners for mobility control of CO2 floods[J]. Society of Petroleum Engineers Journal, 1985, 25(5):679-686. doi: 10.2118/11789-PA
    [5]
    KILIC S, MICHALIK S, WANG Y, et al. Phase behavior of oxygen-containing polymers in CO2[J]. Macromolecules, 2007, 40(4):1332-1341. doi: 10.1021/ma061422h
    [6]
    XU J H, WLASCHIN A, ENICK R M. Thickening carbon dioxide with the fluoroacrylate-styrene copolymer[J]. SPE Journal, 2003, 8(2):85-91. doi: 10.2118/84949-PA
    [7]
    DU M Y, SUN X, DAI C L, et al. Laboratory experiment on a toluene-polydimethyl silicone thickened supercritical carbon dioxide fracturing fluid[J]. Journal of Petroleum Science and Engineering, 2018, 166:369-374. doi: 10.1016/j.petrol.2018.03.039
    [8]
    ALZOBAIDI S, LEE J, JIRIES S, et al. Carbon dioxide-in-oil emulsions stabilized with silicone-alkyl surfactants for waterless hydraulic fracturing[J]. Journal of Colloid and Interface Science, 2018, 526:253-267. doi: 10.1016/j.jcis.2018.04.056
    [9]
    LIU B, WANG Y L, LIANG L. Preparation and performance of supercritical carbon dioxide thickener[J]. Polymers, 2020, 13(1):78. doi: 10.3390/polym13010078
    [10]
    沈子齐,王彦玲,贾文峰,等. 新型低渗储层CO2增稠剂的静态悬砂性能及悬砂机理分析[J]. 应用化工,2022,51(1):68-72.

    SHEN Ziqi, WANG Yanling, JIA Wenfeng, et al. Static suspended sand performance and mechanism analysis of new CO2 thickener for low permeability reservoir[J]. Applied Chemical Industry, 2022, 51(1):68-72.
    [11]
    赵明伟,李阳,高明伟,等. 超临界二氧化碳溶解与增稠性能的综合性实验设计[J]. 实验技术与管理,2021,38(1):78-81. doi: 10.16791/j.cnki.sjg.2021.01.017

    ZHAO Mingwei, LI Yang, GAO Mingwei, et al. Comprehensive experimental design of solubility and thickening properties of supercritical carbon dioxide[J]. Experimental Technology and Management, 2021, 38(1):78-81. doi: 10.16791/j.cnki.sjg.2021.01.017
    [12]
    ZHANG J, XIAO B, ZHANG G X, et al. A New thickener for CO2 anhydrous fracturing fluid[J]. MATEC Web of Conferences, 2015, 31: 01002.
    [13]
    SANG Q, ZHAO X Y, ABDELFATAH E, et al. Dispersibility of poly (vinyl acetate) modified silica nanoparticles in carbon dioxide with several cosolvents[J]. Langmuir, 2021, 37(2):655-665. doi: 10.1021/acs.langmuir.0c02522
    [14]
    ZHAO M W, LI Y, GAO M W, et al. Formulation and performance evaluation of polymer-thickened supercritical CO2 fracturing fluid[J]. Journal of Petroleum Science and Engineering, 2021, 201:108474. doi: 10.1016/j.petrol.2021.108474
    [15]
    LI B F, LIU K, ZHU J, et al. Cosolvent Effect on the Solubility of Ammonium Benzoate in Supercritical Carbon Dioxide[J]. Journal of Chemical & Engineering Data, 2022, 67(3):689-694.
    [16]
    HU D D, SUN S J, YUAN P Q, et al. Evaluation of CO2-philicity of poly (vinyl acetate) and poly (vinyl acetate-alt-maleate) copolymers through molecular modeling and dissolution behavior measurement[J]. The Journal of Physical Chemistry B, 2015, 119(7):3194-3204. doi: 10.1021/jp5130052
    [17]
    GONG H J, ZHANG H, XU L, et al. Effects of cosolvent on dissolution behaviors of PVAc in supercriticalCO2: A molecular dynamics study[J]. Chemical Engineering Science, 2019, 206:22-30. doi: 10.1016/j.ces.2019.05.023
    [18]
    陈睿,范宏. 超支化含苯基聚硅氧烷亲CO2特性及分子模拟[J]. 精细化工,2020,37(6):1282-1288.

    CHEN Rui, FAN Hong. CO2-philic properties of hyperbranched phenyl-containing polysiloxanes with molecular simulation[J]. Fine Chemicals, 2020, 37(6):1282-1288.
    [19]
    XUE P, SHI J, CAO X L, et al. Molecular dynamics simulation of thickening mechanism of supercritical CO2 thickener[J]. Chemical Physics Letters, 2018, 706:658-664. doi: 10.1016/j.cplett.2018.07.006
    [20]
    O'BRIEN M J, PERRY R J, DOHERTY M D, et al. Anthraquinone siloxanes as thickening agents for supercritical CO2[J]. Energy & Fuels, 2016, 30(7):5990-5998.
    [21]
    LEE J J, CUMMINGS S D, BECKMAN E J, et al. The solubility of low molecular weight Poly (Dimethyl siloxane) in dense CO2 and its use as a CO2-philic segment[J]. The Journal of Supercritical Fluids, 2017, 119:17-25. doi: 10.1016/j.supflu.2016.08.003
    [22]
    LUO Hui, WANG Rui, FAN Weiyu, et al. Calculation of solubility parameters of supercritical CO2 by molecular dynamics simulation[J]. Acta Petrolei Sinica (Petroleum Processing Section), 2015, 31(1):78-83.
    [23]
    LIU B, WANG Y L, LIANG L, et al. Achieving solubility alteration with functionalized polydimethylsiloxane for improving the viscosity of supercritical CO2 fracturing fluids[J]. RSC Advances, 2021, 11(28):17197-17205. doi: 10.1039/D1RA02069B
    [24]
    HU D D, SUN S J, YUAN P Q, et al. Exploration of CO2-philicity of poly (vinyl acetate-co-alkyl vinyl ether) through molecular modeling and dissolution behavior measurement[J]. The Journal of Physical Chemistry B, 2015, 119(38):12490-12501. doi: 10.1021/acs.jpcb.5b08393
    [25]
    KONG W X, LV B H, JING G H, et al. How to enhance the regenerability of biphasic absorbents for CO2 capture: An efficient strategy by organic alcohols activator[J]. Chemical Engineering Journal, 2022, 429:132264. doi: 10.1016/j.cej.2021.132264
    [26]
    ZHANG L, LIU C, LI Q B. Molecular simulations of competitive adsorption behavior between CH4-C2H6 in K-illite clay at supercritical conditions[J]. Fuel, 2020, 260:116358. doi: 10.1016/j.fuel.2019.116358
    [27]
    WU H, ZHANG X F, XU D, et al. Enhancing the interfacial stability and solvent-resistant property of PDMS/PES composite membrane by introducing a bifunctional aminosilane[J]. Journal of Membrane Science, 2009, 337(1–2):61-69. doi: 10.1016/j.memsci.2009.03.043
    [28]
    TUBMAN N M, LIBERATORE E, PIERLEONI C, et al. Molecular-atomic transition along the deuterium Hugoniot curve with coupled electron-ion Monte Carlo simulations[J]. Physical Review Letters, 2015, 115(4):045301. doi: 10.1103/PhysRevLett.115.045301
    [29]
    CHANG K S, CHUNG Y C, YANG T H, et al. Free volume and alcohol transport properties of PDMS membranes: Insights of nano-structure and interfacial affinity from molecular modeling[J]. Journal of Membrane Science, 2012, 417/418:119-130.
    [30]
    HOOVER W G. Canonical dynamics: equilibrium phase-space distributions[J]. Physical Review A, 1985, 31(3): 1695-1697.
    [31]
    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.
    [32]
    KARASAWA N, GODDARD W A III. Acceleration of convergence for lattice sums[J]. The Journal of Physical Chemistry, 93(21), 7320-7327.
    [33]
    OUGIYANAGI J, MEGURO Y, YOSHIDA Z, et al. Solvent effect on distribution ratio of Pd (II) in supercritical carbon dioxide extraction and solvent extraction using 2-methyl-8-quinolinol[J]. Talanta, 2003, 59(6):1189-1198. doi: 10.1016/S0039-9140(03)00031-6
    [34]
    ALLEN M P, TILDESLEY D J. Computer simulation of liquids[M]. 2nd ed. Oxford: Oxford University Press, 2017.
    [35]
    BARA J E, CARLISLE T K, GABRIEL C J, et al. Guide to CO2 separations in imidazolium-based room-temperature ionic liquids[J]. Industrial & Engineering Chemistry Research, 2009, 48(6):2739-2751.
    [36]
    WILLIAMS L L, RUBIN J B, EDWARDS H W. Calculation of hansen solubility parameter values for a range of pressure and temperature conditions, including the supercritical fluid region[J]. I ndustrial & Engineering Chemistry Research, 2004, 43(16):4967-4972.
    • Relative Articles
    • Supplements(0)
    • Cited By
  • 加载中

Catalog

    通讯作者: 陈斌, bchen63@163.com
    • 1. 

      沈阳化工大学材料科学与工程学院 沈阳 110142

    1. 本站搜索
    2. 百度学术搜索
    3. 万方数据库搜索
    4. CNKI搜索

    Figures(4)  / Tables(7)

    Get Citation
    PDF
    XML

    Article Metrics

    Article views (383) PDF downloads(30) Cited by()
    Proportional views
    Related

    Website Copyright Drilling Fluid & Completion Fluid津ICP备13002319号-1

    Address：Editorial Office of Drilling Fluid and Completion Fluid, Bohai Drilling Engineering Institute, Yanshan South Road, Renqiu City, Hebei Province

    Tel：（0317）2725487　2722354Email：zjyywjy@126.comPost Code：062552

    Supported by: Beijing Renhe Information Technology Co., Ltd.    

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return