Molecular insights into the oil-in-water emulsification and demulsification of guanidino-based CO 2 /N 2 switchable surfactants

Key Points

• This research aims to investigate the interfacial behavior and mechanisms of emulsification and demulsification of guanidine-based surfactants.
• Conducted MD simulations to analyze the interfacial behavior of DTMG and its protonated form DTMGH.
• Explored differences in emulsification and demulsification processes.
• Examined microscopic mechanisms underlying the surfactants' behavior.
• Notable differences in interfacial behavior between DTMG and DTMGH were identified.
• Microscopic mechanisms revealed insights into the efficiency of emulsification and demulsification processes.