9:00 AM - 9:15 AM
[HSC05-01] Progresses of Nano-Scale Study on CO2 Utilization and Storage
In this presentation, I’ll show some of our recent progresses in application of
molecular simulation in CO2 utilization and geo-sequestration, including: (i) modeling
CO2-water-mineral wettability; (ii) modeling CO2 mineralization; (iii) replacement
of methane from methane hydrate by CO2; (iv) phase behavior in CO2-based enhanced
oil recovery (EOR)) ; and (v) study on the stability of CO2 foam films.
For the wettability, I’ll review state-of-art studies on CO2-water-mineral systems,
and show that it is possible to reproduce the CO2-water-mineral wettability at a wide
range of pressures using molecular dynamics simulations. For CO2 mineralization, I’ll
present the first-principles molecular dynamics study of carbonation and hydrolysis
reactions on the newly-cleaved quartz surface. For utilization of CO2 in the development
of methane hydrate, I’ll discuss the influence of adding N2 to CO2 on the process of
replacing CH4 in methane hydrate.
For utilization of CO2 in EOR, I’ll show how to calculate the phase behavior involved with the oil and the injected CO2. For development of the CO2 foam, I’ll first present stability of CO2 foam with Sodium Dodecyl Sulfate (SDS), and show the effect of surfactant concentration, temperature, and pressure. After that, I’ll briefly explain our study on screening and optimizing the molecular structure of surfactants to improve the CO2 foam performance. Finally, I’ll present outlook on nanoscale study in CO2 utilization and geo-sequestration.
molecular simulation in CO2 utilization and geo-sequestration, including: (i) modeling
CO2-water-mineral wettability; (ii) modeling CO2 mineralization; (iii) replacement
of methane from methane hydrate by CO2; (iv) phase behavior in CO2-based enhanced
oil recovery (EOR)) ; and (v) study on the stability of CO2 foam films.
For the wettability, I’ll review state-of-art studies on CO2-water-mineral systems,
and show that it is possible to reproduce the CO2-water-mineral wettability at a wide
range of pressures using molecular dynamics simulations. For CO2 mineralization, I’ll
present the first-principles molecular dynamics study of carbonation and hydrolysis
reactions on the newly-cleaved quartz surface. For utilization of CO2 in the development
of methane hydrate, I’ll discuss the influence of adding N2 to CO2 on the process of
replacing CH4 in methane hydrate.
For utilization of CO2 in EOR, I’ll show how to calculate the phase behavior involved with the oil and the injected CO2. For development of the CO2 foam, I’ll first present stability of CO2 foam with Sodium Dodecyl Sulfate (SDS), and show the effect of surfactant concentration, temperature, and pressure. After that, I’ll briefly explain our study on screening and optimizing the molecular structure of surfactants to improve the CO2 foam performance. Finally, I’ll present outlook on nanoscale study in CO2 utilization and geo-sequestration.