A simple chemical model to represent CO2–amine–H2O vapour–liquid-equilibria

摘要: Abstract Vapour–liquid-equilibria (VLE) models of CO2–amine–H2O systems are critical to understand the behaviour these as a function composition and temperature. Such crucial component any process simulation prediction performance. VLE consist chemical reactions an activity model describe non-ideal at high ionic strength. For complex highly dimensional used such Pitzer, UNIQUAC eNRTL equations. These require many tens parameters be known or determined, in cases this leads over-fitting. The resulting parameter values then have little physical meaning extrapolation different conditions is unreliable. In work much simpler model, specific ion interaction theory (SIT), has been its performance assessed using published data CO2 absorption aqueous MEA, AMP, PZ mixtures AMP PZ. This simple which requires determination few if parameters, coupled appropriate was found yield results good better than that for more models. Extrapolation will reliable contains ill-defined inclusion straightforward.