《Modeling temperature dependent and absolute carbamate stability constants of amines for CO2 capture》 was published in International Journal of Greenhouse Gas Control in 2020. These research results belong to Gupta, Mayuri; Svendsen, Hallvard F.. Electric Literature of C3H9NO The article mentions the following:
Thermodn. properties and carbamate stability constants (Kc) for a dataset of 25 amines and alkanolamines, with desirable post combustion CO2 capture (PCC) solvent properties, have been studied extensively employing various gaseous phase calculations and solvation models. A comprehensive study of gaseous phase free energy and enthalpy is carried out using d. functional methods [B3LYP/6-311++G(d,p)], and composite methods (G3MP2B3, G3MP2, G4MP2 and CBS-QB3). Implicit solvation models (PCM, SM8T and DivCon) and the Explicit Solvation Shell Model (ESS) were used to study solvation free energy of various neutral and ionic species present in the amine-carbamate formation reaction. Temperature dependent carbamate stability constants are calculated for the carbamate formation reaction of amines and alkanolamines to better understand the effect of temperature on temperature swing absorption-desorption PCC processes. The temperature dependency of Kc was compared against available exptl. data. In the part of experimental materials, we found many familiar compounds, such as 3-Aminopropan-1-ol(cas: 156-87-6Electric Literature of C3H9NO)
3-Aminopropan-1-ol(cas: 156-87-6) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Electric Literature of C3H9NO
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