Modeling and Simulation of Chemical Adsorption of CO2 by Polyaspartamide in a Fixed-Bed Column

Document Type : Research Article


School of Chemical, Petroleum and Gas Engineering, Iran University of Science and Technology, Tehran, I.R. IRAN


In this study, the chemical adsorption modeling of CO2 in the fixed bed column is determined. In the adsorbent modeling, the granules are assumed to be spherical, and by writing the mass balance around a radial element, a partial differential equation has obtained that shows the variation in adsorption versus the direction of radius and time. By applying the boundary conditions and initial condition in terms of the physics of the problem, this equation can be solved, but due to the complexity of its analytical solution, the equations were solved using a combination of the method of lines and finite difference methods. For the modeling of the fixed bed column, the column is aligned along with the height, and by writing the mass balance around it, the partial differential equation is obtained. In order to ensure the modeling process, the model has been verified using experimental data and numerical modeling of the Kelvin Odafe‌ Yoro model. Finally, parametric studies have been done on the chemical adsorption of CO2 in the fixed bed column. The amount of R2 in the CO2 breakthrough curves on polyaspartamide and in the experimental and simulated equilibrium amount of CO2 adsorbed by polyaspartamide at the time is 0.99 and RMSE is approximately 10% for them.


Main Subjects

[1] Chu, F., Jon, C., Yang, L., Du, X., Yang, Y., CO2 Absorption Characteristics in Ammonia Solution Inside the Structured Packed Column. Ind. Eng. Chem. Res., 55(12): 3696-3709 (2016)
[2] Barbalace, R., CO2 Pollution and Global Warming, Environmental Nov. 7, (2006)
[3] Team, E. W., ESRL Web. "ESRL Global Monitoring Division-Global Greenhouse Gas Reference Network". (2005)
[4] Hwang, K.S., Jun, J.H., Lee, W.K., Fixed-bed Adsorption for Bulk Component System. Non-Equilibrium, Non-Isothermal and Non-Adiabatic Model, Chem. Eng. Sci. 50(5): 813-825 (1995)
[5] Gani, R., Pistikopoulos, E.N., Property Modelling and Simulation for Product and Process Design. Fluid Phase Equilib., 194: 43-59 (2002)
[6] Shafeeyan, M.S., Daud, W.M.A.W., Shamiri, A.,  A Review of Mathematical Modeling of Fixed-Bed Columns for Carbon Dioxide Adsorption. Chem. Eng. Res. Design, 92(5): 961-988 (2014)
[7] Chu, K.H., Fixed Bed Sorption: Setting the Record Straight on the Bohart–Adams and Thomas Models. J. Hazard. Mater., 177(1-3): 1006-1012 (2010)
[8] Nikolaidis, G.N., Kikkinides, E.S., Georgiadis, M.C., Model-Based Approach for the Evaluation of Materials and Processes for Post-Combustion Carbon Dioxide Capture from Flue Gas by PSA/VSA Processes. Ind. Eng. Chem. Res., 55(3): 635-646 (2016)
[9] Liang, Z., Sanpasertparnich, T., Sema, T., Jiang, Z., Gelowitz, D., Idem, R., "Tontiwachwuthikul, P., Design, Modeling and Simulation of Post-Combustion CO2 Capture Systems with Reactive Solvents". Future Medicine (2013)
[10] Bohart, G., Adams, E., Some Aspects of the Behavior of Charcoal with Respect to Chlorine. J. American Chemi. Soc., 42(3): 523-544 (1920)
[11] Sun, W., Shen, Y., Zhang, D., Yang, H., Ma, H., A Systematic Simulation and Proposed Optimization of the Pressure Swing Adsorption Process for N2/CH4 Separation Under External Disturbances. Ind. Eng. Chem. Res., 54(30): 7489-7501 (2015)
[12] Huang, P.-H., Cheng, H.-H., Lin, S.-H.,  Adsorption of Carbon Dioxide onto Activated Carbon Prepared from Coconut Shells. J. Chemistry, 2015:1-10 (2015).
[14] Thomas, H.C., Heterogeneous ion Exchange in a Flowing System, J. American Chem. Soc., 66(10): 1664-1666 (1944)
[15] Gilassi, S., Rahmanian, N. , Mathematical Modelling and Numerical Simulation of CO2/CH4 Separation in a Polymeric Membrane. Appl. Math. Modelling, 39(21): 6599-6611 (2015)
[16] Yoro, K.O., "Numerical Simulation of CO2 Adsorption Behaviour of Polyaspartamide Adsorbent for Post-Combustion CO2 Capture". Master of Science Thesis, University of the Witwatersrand, Johannesburg, (2017).
[17] Langmuir, I., The Constitution and Fundamental Properties of Solids and Liquids. Part I. Solids. J. Am. Chem. Soc., 38(11): 2221-2295 (1916)
[18] Rezaei, F., Subramanian S., Kalyanaraman, J., Lively R. P., Kawajiri, Y., Realff, M. J.,  Modeling of Rapid Temperature Swing Adsorption using Hollow Fiber Sorbents. Chem. Eng. Sci., 113: 62-76 (2014)
[19] Fan, Y., Lively, R. P., Labreche, Y., Rezaei, F., Koros W. J., Jones C. W., Evaluation of CO2 Adsorption Dynamics of Polymer/Silica Supported Poly (Ethylenimine) Hollow Fiber Sorbents in Rapid Temperature Swing Adsorption. Int. J. Greenhouse Gas Control, 21: 61-71 (2014)
[20] Boulinguiez, B., Le Cloirec, P., Wolbert, D., Revisiting the Determination of Langmuir Parameters Application to Tetrahydrothiophene Adsorption onto Activated Carbon. Langmuir, 24(13): 6420-6424 (2008)
[21] Ng, J., Cheung, W., McKay, G.,  Equilibrium Studies of the Sorption of Cu (II) Ions onto Chitosan. J. Colloid Interface Sci., 255(1): 64-74 (2002)