ABSTRACT
The effect of alcohols (methanol, ethanol, n-propanol, and isopropanol) on the crystallization process of nesquehonite was investigated by combining experiments and molecular dynamics simulation. With the presence of alcohol, the transformation rate from Mg(HCO3)2 to MgCO3 · 3H2O can be accelerated apparently and the solubility of MgCO3 · 3H2O can be reduced significantly. X-ray diffraction (XRD) analysis indicates that Mg(HCO3)2 is unstable and can be transformed to pure MgCO3 · 3H2O easily. Based on the molecular dynamics simulation, we find that alcohol enhances the desolvation of Mg2+ through reducing the water molecules in the first solvation circle of Mg2+. Hence, the solvation energy could be reduced, which is beneficial for the precipitation of Mg2+. The results in this study provide theoretical foundations for the coupled reaction-extraction-alcohol precipitation process to fix CO2 and produce MgCO3 · 3H2O.
Acknowledgments
The authors are grateful for the financial support from the National Key R&D Program of China (No. 2018YFB0605703), Program of Shanghai Academic/Technology Research Leader(No. 18XD1424600)and National Natural Science Foundation of China (No. U1607112).
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Notes on contributors
Xingfu Song
Xingfu Song is from National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai China.
Chaoyan Dai
Chaoyan Dai is from National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai China.
Guilan Chen
Guilan Chen is from National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai China.
Chunhua Dong
Chunhua Dong is from National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai China.
Jianguo Yu
Jianguo Yu is from National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai China.