Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies

Chen, Cong; Wan, Jiamin; Li, Weizhong; Song, Yongchen

doi:10.1016/j.ijggc.2015.09.019

Title: Water contact angles on quartz surfaces under supercritical CO₂ sequestration conditions: Experimental and molecular dynamics simulation studies

Journal Article · Tue Nov 03 00:00:00 EST 2015 · International Journal of Greenhouse Gas Control

DOI:https://doi.org/10.1016/j.ijggc.2015.09.019· OSTI ID:1506244

Chen, Cong ^[1]; Wan, Jiamin ^[2]; Li, Weizhong ^[1]; Song, Yongchen ^[1]

Dalian University of Technology (China)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

The ambiguity of contact angle experimental measurements due to surface chemistry changes resulted from sample contamination and/or the degrees of reaction with supercritical CO₂ has resulted in great difficulties to precisely understand the wetting behavior of CO₂ under the geological carbon sequestration (GCS) conditions. Water contact angles on quartz surface under GCS conditions were investigated through the combined experimental and molecular dynamics simulation (MDS) methods. The experimental results show that water contact angles increases as ionic strength increases. The effects of pressure and temperature are very weak. The dependence of ionic strength, pressure and temperature is same for monovalent and divalent ions solutions. In the MDS, a hydroxylated quartz surface was used as the base point. A good agreement between the MDS and experimental results were obtained. Using the MDS method, a clean mineral surface with a desired surface chemistry can be constructed, which is difficult in experiments. So by comparing MDS and experimental results, the mechanisms of the reservoir wettability can be better understood. Further investigation can be made on quartz surface with different functional groups to better understand wettability alteration caused by contamination and/or CO₂ reaction.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Energy Frontier Research Centers (EFRC) (United States). Center for Nanoscale Control of Geologic CO2 (NCGC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Doctoral Startup Funds of Liaoning Province (China); Fundamental Research Funds for the Central Universities (China); China Scholarship Council

Grant/Contract Number:: AC02-05CH11231; 51206016; 20121021; DUT14LAB13

OSTI ID:: 1506244

Alternate ID(s):: OSTI ID: 1251648

Journal Information:: International Journal of Greenhouse Gas Control, Vol. 42; ISSN 1750-5836

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 65 works

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References (46)

N2+CO2+NaCl brine interfacial tensions and contact angles on quartz at CO2 storage site conditions in the Gippsland basin, Victoria/Australia Al-Yaseri, Ahmed; Sarmadivaleh, Mohammad; Saeedi, Ali Journal of Petroleum Science and Engineering, Vol. 129 https://doi.org/10.1016/j.petrol.2015.01.026	journal	May 2015
Chemical and Hydrodynamic Mechanisms for Long-Term Geological Carbon Storage Altman, Susan J.; Aminzadeh, Behdad; Balhoff, Matthew T. The Journal of Physical Chemistry C, Vol. 118, Issue 28 https://doi.org/10.1021/jp5006764	journal	June 2014
Pore-scale contact angle measurements at reservoir conditions using X-ray microtomography Andrew, Matthew; Bijeljic, Branko; Blunt, Martin J. Advances in Water Resources, Vol. 68 https://doi.org/10.1016/j.advwatres.2014.02.014	journal	June 2014
Influence of Hydrated Silica Surfaces on Interfacial Water in the Presence of Clathrate Hydrate Forming Gases Bagherzadeh, S. Alireza; Englezos, Peter; Alavi, Saman The Journal of Physical Chemistry C, Vol. 116, Issue 47 https://doi.org/10.1021/jp305529d	journal	November 2012
Contact angle measurements of CO2–water–quartz/calcite systems in the perspective of carbon sequestration Bikkina, Prem Kumar International Journal of Greenhouse Gas Control, Vol. 5, Issue 5 https://doi.org/10.1016/j.ijggc.2011.07.001	journal	September 2011
Reply to the comments on “Contact angle measurements of CO2–water–quartz/calcite systems in the perspective of carbon sequestration” Bikkina, Prem Kumar International Journal of Greenhouse Gas Control, Vol. 7 https://doi.org/10.1016/j.ijggc.2011.11.003	journal	March 2012
Interfacial tension measurements and wettability evaluation for geological CO2 storage Chalbaud, C.; Robin, M.; Lombard, J-M Advances in Water Resources, Vol. 32, Issue 1 https://doi.org/10.1016/j.advwatres.2008.10.012	journal	January 2009
Wettability alteration of caprock minerals by carbon dioxide Chiquet, P.; Broseta, D.; Thibeau, S. Geofluids, Vol. 7, Issue 2 https://doi.org/10.1111/j.1468-8123.2007.00168.x	journal	May 2007
Adsorption of Supercritical Carbon Dioxide on Silica Di Giovanni, Orazio; Dörfler, Werner; Mazzotti, Marco Langmuir, Vol. 17, Issue 14 https://doi.org/10.1021/la010061q	journal	July 2001
Wetting Phenomena at the CO ₂ /Water/Glass Interface Dickson, Jasper L.; Gupta, Gaurav; Horozov, Tommy S. Langmuir, Vol. 22, Issue 5 https://doi.org/10.1021/la0527238	journal	February 2006
Evidence of the Existence of Three Types of Species at the Quartz−Aqueous Solution Interface at pH 0−10: XPS Surface Group Quantification and Surface Complexation Modeling Duval, Y.; Mielczarski, J. A.; Pokrovsky, O. S. The Journal of Physical Chemistry B, Vol. 106, Issue 11 https://doi.org/10.1021/jp012818s	journal	March 2002
Force Field and a Surface Model Database for Silica to Simulate Interfacial Properties in Atomic Resolution Emami, Fateme S.; Puddu, Valeria; Berry, Rajiv J. Chemistry of Materials, Vol. 26, Issue 8 https://doi.org/10.1021/cm500365c	journal	April 2014
Water-CO ₂ -mineral systems: Interfacial tension, contact angle, and diffusion-Implications to CO ₂ geological storage : WATER CO Espinoza, D. Nicolas; Santamarina, J. Carlos Water Resources Research, Vol. 46, Issue 7 https://doi.org/10.1029/2009WR008634	journal	July 2010
Wettability behaviour of CO2 at storage conditions Farokhpoor, Raheleh; Bjørkvik, Bård J. A.; Lindeberg, Erik International Journal of Greenhouse Gas Control, Vol. 12 https://doi.org/10.1016/j.ijggc.2012.11.003	journal	January 2013
Phase separation in confined systems Gelb, L. D.; Gubbins, K. E.; Radhakrishnan, R. Reports on Progress in Physics, Vol. 63, Issue 4 https://doi.org/10.1088/0034-4885/63/4/501	journal	March 2000
Molecular dynamics computations of brine–CO2 interfacial tensions and brine–CO2–quartz contact angles and their effects on structural and residual trapping mechanisms in carbon geo-sequestration Iglauer, S.; Mathew, M. S.; Bresme, F. Journal of Colloid and Interface Science, Vol. 386, Issue 1 https://doi.org/10.1016/j.jcis.2012.06.052	journal	November 2012
CO ₂ wettability of seal and reservoir rocks and the implications for carbon geo-sequestration Iglauer, Stefan; Pentland, C. H.; Busch, A. Water Resources Research, Vol. 51, Issue 1 https://doi.org/10.1002/2014WR015553	journal	January 2015
Contamination of silica surfaces: Impact on water–CO2–quartz and glass contact angle measurements Iglauer, Stefan; Salamah, Abdulsalam; Sarmadivaleh, Mohammad International Journal of Greenhouse Gas Control, Vol. 22 https://doi.org/10.1016/j.ijggc.2014.01.006	journal	March 2014
Supercritical CO ₂ and Ionic Strength Effects on Wettability of Silica Surfaces: Equilibrium Contact Angle Measurements Jung, Jong-Won; Wan, Jiamin Energy & Fuels, Vol. 26, Issue 9 https://doi.org/10.1021/ef300913t	journal	August 2012
Carbon dioxide reaction processes in a model brine aquifer at 200 °C and 200 bars: implications for geologic sequestration of carbon Kaszuba, John P.; Janecky, David R.; Snow, Marjorie G. Applied Geochemistry, Vol. 18, Issue 7 https://doi.org/10.1016/S0883-2927(02)00239-1	journal	July 2003
Wettability Evaluation of a CO ₂ /Water/Bentheimer Sandstone System: Contact Angle, Dissolution, and Bubble Size Kaveh, N. Shojai; Rudolph, E. S. J.; van Hemert, P. Energy & Fuels, Vol. 28, Issue 6 https://doi.org/10.1021/ef500034j	journal	May 2014
Engineered CO2 injection: The use of surfactants for enhanced sweep efficiency Kim, Seunghee; Santamarina, J. Carlos International Journal of Greenhouse Gas Control, Vol. 20 https://doi.org/10.1016/j.ijggc.2013.11.018	journal	January 2014
Dewetting of Silica Surfaces upon Reactions with Supercritical CO ₂ and Brine: Pore-Scale Studies in Micromodels Kim, Yongman; Wan, Jiamin; Kneafsey, Timothy J. Environmental Science & Technology, Vol. 46, Issue 7 https://doi.org/10.1021/es204096w	journal	March 2012
Molecular dynamics simulation of wetting behavior at CO2/water/solid interfaces Liu, ShuYan; Yang, XiaoNing; Qin, Yan Chinese Science Bulletin, Vol. 55, Issue 21 https://doi.org/10.1007/s11434-010-3287-0	journal	July 2010
Comments on the paper titled “Contact angle measurements of CO2–water-quartz/calcite systems in the perspective of carbon sequestration”: A case of contamination? Mahadevan, Jagan International Journal of Greenhouse Gas Control, Vol. 7 https://doi.org/10.1016/j.ijggc.2011.09.002	journal	March 2012
Molecular Dynamics Simulation of Water/CO2-quartz Interfacial Properties: Application to Subsurface Gas Injection McCaughan, Jack; Iglauer, Stefan; Bresme, Fernando Energy Procedia, Vol. 37 https://doi.org/10.1016/j.egypro.2013.06.457	journal	January 2013
Inaccessible Hydroxyl Groups on Silica Are Accessible in Supercritical CO ₂ McCool, Ben; Tripp, Carl P. The Journal of Physical Chemistry B, Vol. 109, Issue 18 https://doi.org/10.1021/jp050192q	journal	May 2005
Geological storage of CO2 in saline aquifers—A review of the experience from existing storage operations Michael, K.; Golab, A.; Shulakova, V. International Journal of Greenhouse Gas Control, Vol. 4, Issue 4 https://doi.org/10.1016/j.ijggc.2009.12.011	journal	July 2010
Wetting transparency of graphene Rafiee, Javad; Mi, Xi; Gullapalli, Hemtej Nature Materials, Vol. 11, Issue 3 https://doi.org/10.1038/nmat3228	journal	January 2012
Study of the Interaction between Silica Surfaces and the Carbon Dioxide Molecule Roque-Malherbe, R.; Polanco-Estrella, R.; Marquez-Linares, F. The Journal of Physical Chemistry C, Vol. 114, Issue 41 https://doi.org/10.1021/jp107754g	journal	September 2010
Wettability of Supercritical Carbon Dioxide/Water/Quartz Systems: Simultaneous Measurement of Contact Angle and Interfacial Tension at Reservoir Conditions Saraji, Soheil; Goual, Lamia; Piri, Mohammad Langmuir, Vol. 29, Issue 23 https://doi.org/10.1021/la3050863	journal	May 2013
The effects of SO2 contamination, brine salinity, pressure, and temperature on dynamic contact angles and interfacial tension of supercritical CO2/brine/quartz systems Saraji, Soheil; Piri, Mohammad; Goual, Lamia International Journal of Greenhouse Gas Control, Vol. 28 https://doi.org/10.1016/j.ijggc.2014.06.024	journal	September 2014
Influence of temperature and pressure on quartz–water–CO2 contact angle and CO2–water interfacial tension Sarmadivaleh, Mohammad; Al-Yaseri, Ahmed Z.; Iglauer, Stefan Journal of Colloid and Interface Science, Vol. 441 https://doi.org/10.1016/j.jcis.2014.11.010	journal	March 2015
Comprehensive Review of Caprock-Sealing Mechanisms for Geologic Carbon Sequestration Song, Juan; Zhang, Dongxiao Environmental Science & Technology, Vol. 47, Issue 1 https://doi.org/10.1021/es301610p	journal	August 2012
A snake-based approach to accurate determination of both contact points and contact angles Stalder, A. F.; Kulik, G.; Sage, D. Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 286, Issue 1-3 https://doi.org/10.1016/j.colsurfa.2006.03.008	journal	September 2006
Low-bond axisymmetric drop shape analysis for surface tension and contact angle measurements of sessile drops Stalder, Aurélien F.; Melchior, Tobias; Müller, Michael Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 364, Issue 1-3 https://doi.org/10.1016/j.colsurfa.2010.04.040	journal	July 2010
Interfacial phenomena of aqueous systems in dense carbon dioxide Sutjiadi-Sia, Y.; Jaeger, P.; Eggers, R. The Journal of Supercritical Fluids, Vol. 46, Issue 3 https://doi.org/10.1016/j.supflu.2008.06.001	journal	October 2008
Molecular Simulation of Carbon Dioxide, Brine, and Clay Mineral Interactions and Determination of Contact Angles Tenney, Craig M.; Cygan, Randall T. Environmental Science & Technology, Vol. 48, Issue 3 https://doi.org/10.1021/es404075k	journal	January 2014
Chemical Modification of Metal Oxide Surfaces in Supercritical CO ₂ : The Interaction of Supercritical CO ₂ with the Adsorbed Water Layer and the Surface Hydroxyl Groups of a Silica Surface Tripp, C. P.; Combes, J. R. Langmuir, Vol. 14, Issue 26 https://doi.org/10.1021/la9805701	journal	December 1998
Molecular Dynamics Simulations of the CO2-Water-silica Interfacial Systems Tsuji, Shinya; Liang, Yunfeng; Kunieda, Makoto Energy Procedia, Vol. 37 https://doi.org/10.1016/j.egypro.2013.06.462	journal	January 2013
Interactions of silica nanoparticles in supercritical carbon dioxide Vishnyakov, Aleksey; Shen, Yangyang; Tomassone, M. Silvina The Journal of Chemical Physics, Vol. 129, Issue 17 https://doi.org/10.1063/1.2994714	journal	November 2008
Contact angle measurement ambiguity in supercritical CO2–water–mineral systems: Mica as an example Wan, Jiamin; Kim, Yongman; Tokunaga, Tetsu K. International Journal of Greenhouse Gas Control, Vol. 31 https://doi.org/10.1016/j.ijggc.2014.09.029	journal	December 2014
Wettability Phenomena at the CO ₂ –Brine–Mineral Interface: Implications for Geologic Carbon Sequestration Wang, Shibo; Edwards, Ian M.; Clarens, Andres F. Environmental Science & Technology, Vol. 47, Issue 1 https://doi.org/10.1021/es301297z	journal	August 2012
CO ₂ Adhesion on Hydrated Mineral Surfaces Wang, Shibo; Tao, Zhiyuan; Persily, Sara M. Environmental Science & Technology, Vol. 47, Issue 20 https://doi.org/10.1021/es402199e	journal	September 2013
Wetting behavior of water droplet on solid surfaces in solvent environment: A molecular simulation study Yan, Mengqiu; Yang, Xiaoning; Lu, Yujie Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 429 https://doi.org/10.1016/j.colsurfa.2013.03.067	journal	July 2013
Wettability Determination of the Reservoir Brine−Reservoir Rock System with Dissolution of CO ₂ at High Pressures and Elevated Temperatures Yang, Daoyong; Gu, Yongan; Tontiwachwuthikul, Paitoon Energy & Fuels, Vol. 22, Issue 1 https://doi.org/10.1021/ef700383x	journal	January 2008

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54 ENVIRONMENTAL SCIENCES
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Title: Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies

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Title: Water contact angles on quartz surfaces under supercritical CO₂ sequestration conditions: Experimental and molecular dynamics simulation studies