Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study

We investigated the effect of temperature and monoethanolamine (MEA) concentration on self-diffusivity acid gases, CO2 , H2S in aqueous MEA solutions. For this purpose, we computed densities pure 30 wt% MEA/water solutions while scaling LJ energy (ϵ) parameter point charges MEA. Results show that with a factor 0.80 applied to MEA, agree well experimental ones from literature. This was tested by computing viscosities comparing these experiments. showed also works for predicting transport properties Finally, self-diffusivities infinitely diluted temperatures ranging 293–353 K concentrations 10–50 wt%. Our results both gases depends significantly solution. The study will contribute development more efficient gas treatment processes.