A Reynolds mass flux model for gas separation process simulation: II. Application to adsorption on activated carbon in a packed column

doi:10.1016/j.cjche.2015.01.012

Abstract

Abstract: Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column (0.041mid, packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model, breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover, the anisotropic turbulent mass diffusion is characterized and discussed.

Key words: Simulation, Adsorption, Mass transfer, Anisotropic turbulent mass diffusion, Packed bed

摘要： Simulations of adsorption process using the Reynolds mass flux model described in Part I of these serial articles are presented. The object of the simulation is the methylene chloride adsorption in a packed column (0.041mid, packed with spherical activated carbon up to a length of 0.2 m). With the Reynolds mass flux model, breakthrough/regeneration curves, concentration and temperature as well as the velocity distributions can be obtained. The simulated results are compared with the experimental data reported in the literature and satisfactory agreement is found both in breakthrough/regeneration curves and temperature curves. Moreover, the anisotropic turbulent mass diffusion is characterized and discussed.

关键词: Simulation, Adsorption, Mass transfer, Anisotropic turbulent mass diffusion, Packed bed

Wenbin Li, Kuotsung Yu, Xigang Yuan, Botan Liu. A Reynolds mass flux model for gas separation process simulation: II. Application to adsorption on activated carbon in a packed column[J]. Chin.J.Chem.Eng., 2015, 23(8): 1245-1255.

References

[1] A.L. Kohl, R.B. Nielsen, Gas Purification, Gulf Professional Publ., United State, 1997.

[2] H. Song, J. Gao, X. Chen, J. He, C. Li, Removal of thiophenic sulfur compounds fromoil using chlorinated polymers and lewis acid mixture via adsorption and Friedel-Crafts alkylation reaction, Chin. J. Chem. Eng. 22(2014) 713-720.

[3] L. Yang, H. Yu, S.Wang, H.Wang, Q. Zhou, Carbon dioxide captured from flue gas by modified Ca-based sorbents in fixed-bed reactor at high temperature, Chin. J. Chem. Eng. 21(2013) 199-204.

[4] P. Fang, C. Cen, D. Chen, Z. Tang, Carbonaceous adsorbents prepared from sewage sludge and its application for Hg⁰ adsorption in simulated flue gas, Chin. J. Chem. Eng. 18(2010) 231-238.

[5] M.G. Plaza, S. García, F. Rubiera, J.J. Pis, C. Pevida, Post-combustion CO₂ capture with a commercial activated carbon:Comparison of different regeneration strategies, Chem. Eng. J. 163(2010) 41-47.

[6] S. Ghorai, K.K. Pant, Equilibrium, kinetics and breakthrough studies for adsorption of fluoride on activated alumina, Sep. Purif. Technol. 42(2005) 265-271.

[7] Y. Belmabkhout, G. Pirngruber, E. Jolimaitre, A. Methivier, A complete experimental approach for synthesis gas separation studies using static gravimetric and column breakthrough experiments, Adsorption 13(2007) 341-349.

[8] I. Park, K.S. Knaebel, Adsorption breakthrough behavior:unusual effects and possible causes, AIChE J 38(1992) 660-670.

[9] G.M. Walker, L.R. Weatherley, Adsorption of acid dyes on to granular activated carbon in fixed beds, Water Res. 31(1997) 2093-2101.

[10] Y. Kawamura, H. Yoshida, S. Asai, H. Tanibe, Breakthrough curve for adsorption of mercury (II) on polyaminated highly porous chitosan beads, Water Sci. Technol. 35(1997) 97-105.

[11] A. Leitão, P. Carlos, S. Santos, A. Rodrigues, Tracer experiments in fixed beds:effects of flow maldistribution on the estimation of transport kinetic parameters, Chem. Eng. J. 53(1994) 193-199.

[12] M.M. Nabatilan, A. Harhad, P.R. Wolenski, W.M. Moe, Activated carbon load equalization of transient concentrations of gas-phase toluene:Effect of gas flow rate during pollutant non-loading intervals, Chem. Eng. J. 157(2010) 339-347.

[13] S. Ghorai, K.K. Pant, Investigations on the column performance of fluoride adsorption by activated alumina in a fixed-bed, Chem. Eng. J. 98(2004) 165-173.

[14] G. Thirupathi, C.P. Krishnamoorthy, S. Pushpavanam, Adsorption characteristics of inorganic salts and detergents on sand beds, Chem. Eng. J. 125(2007) 177-186.

[15] M. Winterberg, E. Tsotsas, A. Krischke, D. Vortmeyer, A simple and coherent set of coefficients for modelling of heat and mass transport with and without chemical reaction in tubes filled with spheres, Chem. Eng. Sci. 55(2000) 967-979.

[16] W. Kwapinski, M. Winterberg, E. Tsotsas, D. Mewes, Modeling of the wall effect in packed bed adsorption, Chem. Eng. Technol. 27(2004) 1179-1186.

[17] F. Augier, C. Laroche, E. Brehon, Application of computational fluid dynamics to fixed bed adsorption calculations:effect of hydrodynamics at laboratory and industrial scale, Sep. Purif. Technol. 63(2008) 466-474.

[18] K. Miyabe, G. Guiochon, Numerical method for the estimation of column radial heterogeneity and of the actual column efficiency from tailing peak profiles, Anal. Chem. 83(2010) 182-192.

[19] W. Qian, J.Wu, L. Yang, X. Lin, Y. Chen, X. Chen, J. Xiong, J. Bai,H. Ying, Computational simulations of breakthrough curves in cAMP adsorption processes in ion-exchange bed under hydrodynamic flow, Chem. Eng. J. 197(2012) 424-434.

[20] W.B. Li, B.T. Liu, K.T. Yu, X.G. Yuan, Rigorousmodel for the simulation of gas adsorption and its verification, Ind. Eng. Chem. Res. 50(2011) 8361-8370.

[21] Z.M. Sun, B.T. Liu, X.G. Yuan, C.J. Liu, K.T. Yu, Newturbulent model for computational mass transfer and its application to a commercial-scale distillation column, Ind. Eng. Chem. Res. 44(2005) 4427-4434.

[22] G.C. Yu, X.G. Yuan, Introduction to Computational Mass Transfer for Chemical Engineering Processes, Tianjin University Press, Tianjin, China, 2011. (in Chinese).

[23] D.J. Gunn, Axial and radial dispersion in fixed beds, Chem. Eng. Sci. 42(1987) 363-373.

[24] D. Coelho, J.F. Thovert, P.M. Adler, Geometrical and transport properties of random packings of spheres and aspherical particles, Phys. Rev. E 55(1997) 1959-1978.

[25] W.B. Li, K. Yu, X.G. Yuan, B.T. Liu, A Reynoldsmass fluxmodel for gas separation process simulation:I.Modeling and validation, Chin. J. Chem. Eng. 23(2015) 1085-1094.

[26] K.S.Hwang, C. Dae Ki, G. Sung Yong, C. Sung Yong, Adsorption and thermal regeneration of methylene chloride vapor on an activated carbon bed, Chem. Eng. Sci. 52(1997) 1111-1123.

[27] J. Tobi?, D. Zió?kowski,Modelling of heat transfer at the wall of a packed-bed apparatus, Chem. Eng. Sci. 43(1988) 3031-3036.

[28] J.A.C. Silva, A.E. Rodrigues, Fixed-bed adsorption of n-pentane/isopentane mixtures in pellets of 5A zeolite, Ind. Eng. Chem. Res. 36(1997) 3769-3777.

[29] E. Glueckauf, Theory of chromatography 10:formulae for diffusion into spheres and their application to chromatography, Trans. Faraday Soc. 51(1955) 1540-1551.

[30] N.Wakao, T. Funazkri, Effect of fluid dispersion coefficients on particle-to-fluidmass transfer coefficients in packed beds:Correlation of Sherwood numbers, Chem. Eng. Sci. 33(1978) 1375-1384.

[31] S. Ergun, Fluid flow through packed columns, Chem. Eng. Prog. 48(1952) 89-94.

[32] S.J. Liu, A continuum model for gas-liquid flow in packed towers, Chem. Eng. Sci. 56(2001) 5945-5953.

[33] J.B. Butt, Reaction Kinetics and Reactor Design, Prentice-Hall, Englewood Cliffs, N. J, 1980.

[34] S. Chapman, T.G. Cowling, The Mathematical Theory of Non-uniform Gases, 3rd ed. Cambridge University Press, UK, 1970.

[35] E.W. Lemmon, R.T. Jacobsen, Viscosity and thermal conductivity equations for nitrogen, oxygen, argon, and air, Int. J. Thermophys. 25(2004) 21-69.

[36] R.H. Perry, D.W. Green, Perry's Chemical Engineers' Handbook, 7th ed. McGraw-Hill, New York, 2001.

[37] H. Martin, M. Nilles, Radiale Wärmeleitung in durchströmten Schüttungsrohren, Chem. Eng. Technol. 65(1993) 1468-1477.

[38] Fluent, Fluent 6.3 Documentation, Fluent, Lebanon, NH, 2006.

[39] R. Béttega, R.G. Corrêa, J.T. Freire, Velocity profile in fixed beds:A study on the representativeness of the experimental measurement of downstream flow characteristics, Dry. Technol. 25(2007) 1175-1183.

[40] A.L. Negrini, A. Fuelber, J.T. Freire, J.C. Thomeo, Fluid dynamics of air in a packed bed:Velocity profiles and the continuummodel assumption, Braz. J. Chem. Eng. 16(1999) 421-432.

[41] D.-U. Astrath, F. Lottes, D. Vu,W. Arlt, E. Stenby, Experimental investigation of liquid chromatography columns by means of computed tomography, Adsorption 13(2007) 9-19.

[42] F. Pinson, O. Gregoire, M. Quintard, M. Prat, O. Simonin, Modeling of turbulent heat transfer and thermal dispersion for flows in flat plate heat exchangers, Int. J. Heat Mass Transf. 50(2007) 1500-1515.

[43] S. Eskinazi, F.F. Erian, Energy reversal in turbulent flows, Phys. Fluids 12(1969) 1988-1998.

[44] D.J. Gunn, Mixing in packed and fluidised beds, IChemE (1968) 153-172.

[45] P.G. Saffman, Dispersion due to molecular diffusion andmacroscopic mixing in flow through a network of capillaries, J. Fluid Mech. 7(1960) 194-208.

[46] M.A.N. Coelho, J.R. Guedes de Carvalho, Transverse dispersion in granular beds:part I-mass transfer from a wall and the dispersion coefficient in packed beds, Chem. Eng. Res. Des. 66(1988) 165-177.

[47] C.W. Fetter, Contaminant Hydrogeology, 2nd edition Prentice-Hall International, New Jersey, USA, 1999.

[48] D.L. Koch, J.F. Brady, Dispersion in fixed beds, J. Fluid Mech. 154(1985) 399-427.

[49] M. Sahimi, Flow and Transport in Porous Media and Fractured Rock, VCH Velagsgesellschaft Mbh, Weinheim, Germany, 1995.

[50] E.A. Foumeny, M.A. Chowdhury, C. McGreavy, J.A.A. Castro, Estimation of dispersion coefficients in packed beds, Chem. Eng. Technol. 15(1992) 168-181.

[51] Macías-Salinas, J.R. Fair, Axial mixing in modern packings, gas and liquid phases:I. Single-phase flow, AIChE J 45(222-239) (1999).

[52] J.M.P.Q. Delgado, A critical review of dispersion in packed beds, Heat Mass Transf. 42(2006) 279-310.

[53] F.H. Yin, A. Afacan, K. Nandakumar, K.T. Chuang, CFD simulation and experimental study of liquid dispersion in randomly packed metal pall rings, Chem. Eng. Res. Des. 80(2002) 135-144.

[54] T.K. Sherwood, R.L. Pigford, C.R. Wilke, Mass Transfer, McGraw-Hill, USA, 1975.