Abstract
Carbon dioxide capture, utilization, and storage (CCUS) technology stands as a highly effective strategy for mitigating carbon dioxide emissions. However, concerns regarding the safety of geological sequestration have impeded the widespread adoption of CCUS. The nano-emulsion, characterized by its diminutive size and exceptional stability, emerges as a prime candidate for CO2 storage applications. A molecular dynamics investigation into the impact of trisiloxane surfactants on the stability of supercritical CO2 nano-emulsion revealed that polyglycerol-modified hydrophilic chains engage in hydrogen bonding with water, while siloxane groups exhibit a propensity to penetrate the CO2 nano-emulsion. Specifically, the Pro8 molecule enhances the interaction energy between CO2 and water to approximately 968 kJ/mol, thereby extending the nano-emulsion’s aggregation time by 23 % relative to conventional surfactants. The Pro8 molecule demonstrates an auspicious equilibrium between hydrophilicity and CO2 affinity, marking it as a superior surfactant for the generation of CO2 nano-emulsion and underscoring its significant potential for CCUS applications.
Published Version
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