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

Abstract

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.

Authors:
 [1];  [2];  [1];  [1]
+ Show Author Affiliations
  1. Dalian University of Technology (China)
  2. Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Publication Date:
Research Org.:
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 Org.:
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
OSTI Identifier:
1506244
Alternate Identifier(s):
OSTI ID: 1251648
Grant/Contract Number:  
AC02-05CH11231; 51206016; 20121021; DUT14LAB13
Resource Type:
Accepted Manuscript
Journal Name:
International Journal of Greenhouse Gas Control
Additional Journal Information:
Journal Volume: 42; Journal ID: ISSN 1750-5836
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
58 GEOSCIENCES; 54 ENVIRONMENTAL SCIENCES; contact angle; molecular dynamics simulation; supercritical CO2; quartz; wettability; geological carbon sequestration

Citation Formats

Chen, Cong, Wan, Jiamin, Li, Weizhong, and Song, Yongchen. Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies. United States: N. p., 2015. Web. doi:10.1016/j.ijggc.2015.09.019.
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Chen, Cong, Wan, Jiamin, Li, Weizhong, & Song, Yongchen. Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies. United States. https://doi.org/10.1016/j.ijggc.2015.09.019
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Chen, Cong, Wan, Jiamin, Li, Weizhong, and Song, Yongchen. Tue . "Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies". United States. https://doi.org/10.1016/j.ijggc.2015.09.019. https://www.osti.gov/servlets/purl/1506244.
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@article{osti_1506244,
title = {Water contact angles on quartz surfaces under supercritical CO2 sequestration conditions: Experimental and molecular dynamics simulation studies},
author = {Chen, Cong and Wan, Jiamin and Li, Weizhong and Song, Yongchen},
abstractNote = {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.},
doi = {10.1016/j.ijggc.2015.09.019},
journal = {International Journal of Greenhouse Gas Control},
number = ,
volume = 42,
place = {United States},
year = {Tue Nov 03 00:00:00 EST 2015},
month = {Tue Nov 03 00:00:00 EST 2015}
}
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https://doi.org/10.1016/j.ijggc.2015.09.019
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