Article : texte imprimé

Prediction of the basicity of aqueous amine solutions and the species distribution in the amine−H2O−CO2 system using the COSMO-RS method

Hidetaka Yamada, Auteur ; Shinkichi Shimizu, Auteur ; Hiromichi Okabe, Auteur |

Dans Industrial & engineering chemistry research (Vol. 49 N° 5, Mars 2010)

A conductor-like screening model for real solvents (COSMO-RS) was applied to the study of the amine−H2O−CO2 system. pKa values for 25 amines including a variety of alkanolamines and some cyclic or aromatic amines were calculated by the COSMO-RS [...]

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