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      • Thermodynamic modelling of CO<sub>2</sub> absorption into aqueous solutions of 2-diethylaminoethanol, piperazine, and blended diethylaminoethanol with piperazine

        Afkhamipour, Morteza,Mofarahi, Masoud,Pakzad, Peyman,Lee, Chang-Ha Elsevier 2019 Fluid phase equilibria Vol.493 No.-

        <P><B>Abstract</B></P> <P>In this study, the Deshmukh–Mather (D-M) model was used to evaluate the equilibrium behaviour of CO<SUB>2</SUB> + diethylaminoethanol (DEAE) + H<SUB>2</SUB>O, CO<SUB>2</SUB> + piperazine (PZ) + H<SUB>2</SUB>O, and CO<SUB>2</SUB> + DEAE + PZ + H<SUB>2</SUB>O systems. The binary interaction parameters of the model for mentioned systems were obtained by using experimental solubility data from the literature. The ability of the model to predict the concentration profiles for all chemical species present in the liquid phase at different concentrations of amine solution was tested. The excess properties such as Gibbs energy, enthalpy, and heat capacity as a function of the CO<SUB>2</SUB> loading of the amine were obtained. The solution pH and activity coefficients were also investigated. The results of thermodynamic modelling indicated that the D-M model predicted the experimental data with average absolute relative deviations (AARDs) of 7.15%, 11.3%, and 8.65%, respectively, for the CO<SUB>2</SUB> + DEAE + PZ + H<SUB>2</SUB>O, CO<SUB>2</SUB> + PZ + H<SUB>2</SUB>O, and CO<SUB>2</SUB> + DEAE + H<SUB>2</SUB>O systems. The model applied in this study can be used for process simulation based on the rate-based or equilibrium-stage models of CO<SUB>2</SUB> absorption with DEAE + PZ solutions.</P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

      • Thermodynamic modelling using e-UNIQUAC model for CO<sub>2</sub> absorption by novel amine solutions: 1-Dimethylamino- 2-propanol (1DMA2P), 3-dimethylamino-1-propanol (3DMA1P) and 4-diethylamino-2-butanol (DEAB)

        Afkhamipour, Morteza,Mofarahi, Masoud,Lee, Chang-Ha Elsevier 2018 Fluid phase equilibria Vol.473 No.-

        <P><B>Abstract</B></P> <P>The proper selection of thermodynamic models is an important step in the design and simulation of CO<SUB>2</SUB> removal processes using amine solutions. In this study, we aim to study the thermodynamic behaviour of the CO<SUB>2</SUB> removal process by employing the extended-universal quasichemical (e-UNIQUAC) model for three novel amine systems, namely CO<SUB>2</SUB>+1DMA2P + H<SUB>2</SUB>O, CO<SUB>2</SUB>+3DMA1P + H<SUB>2</SUB>O, and CO<SUB>2</SUB>+DEAB + H<SUB>2</SUB>O. The thermodynamic behaviour was studied in terms of the CO<SUB>2</SUB> loading of amines, the ion speciation profiles, the isothermal pressure-composition (Pxy) profiles, and the pH of the amine solutions. Adjustable parameters of the model include binary interaction parameters, and the volume and surface area parameters of the amine and protonated amine were determined using different objective functions based on the experimental data available in the literature. The ion and molecular speciation profiles are obtained and compared with nuclear magnetic resonance (NMR) data for CO<SUB>2</SUB>+1DMA2P + H<SUB>2</SUB>O and CO<SUB>2</SUB>+DEAB + H<SUB>2</SUB>O systems. The model predicted the experimental data with average absolute relative deviations (AARDs) of 8.06%, 13.39% and 16.50% for CO<SUB>2</SUB> loading values of DEAB, 1DMA2P, and 3DMA1P, respectively. In addition, the results of Pxy profiles at different temperatures show that the azeotrope does not form in the 3DMA1P + H<SUB>2</SUB>O system. The adjustable parameters and predicted data of the applied e-UNIQUAC model may contribute to the rate-based simulation of CO<SUB>2</SUB> absorption processes using novel amine systems.</P> <P><B>Highlights</B></P> <P> <UL> <LI> Extended-UNIQUAC model was applied for three novel amine systems. </LI> <LI> Different objective functions were defined for the optimization of model parameters. </LI> <LI> The volume and surface area of amine and protonated amine were determined. </LI> <LI> NMR data and pH data were assessed using the Extended-UNIQUAC model. </LI> <LI> Pxy profiles of the 3DMA1P + H<SUB>2</SUB>O system were predicted at different temperatures. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

      • KCI등재

        Modeling study on CO2 and H2S simultaneous removal using MDEA solution

        Tohid Nejad Ghaffar Borhani,Morteza Afkhamipour,Abbas Azarpour,Vahid Akbari,Seyed Hossein Emadi,Zainuddin A. Manan 한국공업화학회 2016 Journal of Industrial and Engineering Chemistry Vol.34 No.-

        This study presents a rate-based model of an absorber packed column for simultaneous absorptions ofacid gases into methyldiethanolamine (MDEA) aqueous solution. The model is in good agreement withexperimental data. The parametric study showed that the concentration of acid gases in the sweet gasstream increases by decrease in the specific surface area of packing. The peak of selectivity factordecreases with the increase in the mole ratio of CO2/H2S in the gas feed along the packed column. Thesensitivity analysis reveals that selecting the accurate correlations of the gas-side mass transfercoefficient and specific surface area is vital.

      • An experimental and modeling study of CO<sub>2</sub> solubility in a 2-amino-2-methyl-1-propanol (AMP) + N-methyl-2-pyrrolidone (NMP) solution

        Pakzad, Peyman,Mofarahi, Masoud,Izadpanah, Amir Abbas,Afkhamipour, Morteza,Lee, Chang-Ha Elsevier 2018 Chemical engineering science Vol.175 No.-

        <P><B>Abstract</B></P> <P>In this study, an experimental setup based on the static-synthetic method was used to measure the new experimental data of CO<SUB>2</SUB> solubility in an aqueous solution of 2-amino-2-methyl-1-propanol (AMP) + N-methyl-2-pyrrolidone (NMP) solution. For the static-synthetic method, the mass balance of compositions and the pressure–volume–temperature conditions were used for measuring the amount of absorbed CO<SUB>2</SUB> by the AMP+NMP solution. The measurements were performed over a temperature range of 313.15–353.15 K, CO<SUB>2</SUB> partial pressure up to 316.7 kPa, and in different concentrations of the AMP+NMP solution. Two models, modified Kent–Eisenberg, and Deshmukh–Mather, based on the empirical correlations and activity-fugacity approach, respectively, were used for the prediction of experimental data. The parameters of the equilibrium constants of the protonation and carbamate reactions for the modified Kent–Eisenberg model and the interaction parameters for Deshmukh–Mather model were obtained. For validation of our setup, a new set of experimental data for the solubility of CO<SUB>2</SUB> in an aqueous solution of AMP, methyldiethanolamine (MDEA) and diethanolamine (DEA) were measured and compared with existing experimental data in the literature, and good results were obtained. The results of the modeling study showed that the Deshmukh–Mather model gave a better prediction of experimental CO<SUB>2</SUB> loadings data than the modified Kent–Eisenberg. Also, the results showed that the solubility of CO<SUB>2</SUB> in an aqueous solution of AMP+NMP increases as the CO<SUB>2</SUB> partial pressure increases while the temperature decreases.</P> <P><B>Highlights</B></P> <P> <UL> <LI> New experimental data for CO<SUB>2</SUB> solubility in AMP+NMP+H<SUB>2</SUB>O system was presented. </LI> <LI> Experimental data predicted by modified Kent–Eisenberg and Deshmukh–Mather models. </LI> <LI> Clausius–Clapeyron equation was used for calculation of the absorption heat. </LI> <LI> Deshmukh–Mather model predicted the experimental data with an AARD% of 3.08. </LI> </UL> </P> <P><B>Graphical abstract</B></P> <P>[DISPLAY OMISSION]</P>

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