*Masashige Shiga1, Tetsuya Morishita2, Masao Sorai1
(1.Geological Survey of Japan, National Institute of Advanced Industrial Science and Technology, 2.Research Center for Computational Design of Advanced Functional Materials (CD-FMat), National Institute of Advanced Industrial Science and Technology)
Keywords:CO2 geological storage and utilization, Geothermal reservoirs, Phase behaviors, Molecular dynamics simulations
CO2-EGS (Enhanced Geothermal Systems) has garnered significant attention as a viable option for the advancement of sustainable energy development. To gain a deeper understanding of the fundamental physical properties associated with this technology, molecular dynamics simulations were conducted to compute the phase behavior of CO2 + water systems under varying conditions ranging from 40°C to 300°C. Through the analysis of dynamics, in conjunction with an investigation of molecular structure during phase change, the physical properties underlying the estimation and interpretation of transport properties were examined and discussed.