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论文类型：期刊论文

发表时间：2015-11-01

发表刊物：INTERNATIONAL JOURNAL OF GREENHOUSE GAS CONTROL

收录刊物：SCIE、EI、Scopus

卷号：42

页面范围：655-665

ISSN号：1750-5836

关键字：Contact angle; Molecular dynamics simulation; Supercritical CO2; Quartz; Wettability; Geological carbon sequestration

摘要：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. In this study, 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. (c) 2015 Elsevier Ltd. All rights reserved.