Evaluating polymeric inhibitors of ethane clathrate hydrates

摘要: Abstract Inhibitions of gas hydrates under sever conditions such as high subcooling temperature using kinetic hydrate inhibitors (KHIs) is practically challenging. However, KHIs are favorable than thermodynamic (THIs) because economical and environmental reasons. Therefore, fundamental understandings polymers performance in severity essential to rationally design effective for this type application. In paper, polyvinylpyrrolidone, polyethyloxazoline low Mw polyethylene glycol (200 MW 20,000 MW) were investigated ethane clathrate inhibitors. Performance was evaluated terms the induction time nucleation total number moles enclathrated hydrate. The observed scale order increasing (20,000 MW), (200 MW), polyethyloxazoline. Polyethylene leads lowest yield hydrate, while polyvinylpyrrolidone lead similar yields near polymer-free system. supported by computational modeling density functional theory (DFT), where infra-red (IR) band shifts calculated polymer surrogates hydrated forms. Additionally, bond distance, interaction energy, atom charge molecules state calculated. These calculations correlated with performances hydrates.