An SCR catalyst is used as an example to investigate the effects of the washcoat diffusion limitation on the performance of monolith reactors. One-dimensional model and three-dimensional CFD model with and without washcoat diffusion limitation were established. The washcoat diffusion was modeled by using an effective diffusivity in the washcoat region (CFD modeling) and the internal mass transfer coefficient between the interface and the interior of the washcoat (One-dimensional modeling). The results show that numerical models with washcoat diffusion limitation give more accurate NO concentration prediction than the numerical models without washcoat diffusion limitation. Using the ratios of internal mass transfer resistance and reaction resistance to estimate the washcoat diffusion limitation, the correlation between the temperature and the washcoat limitation is discussed. Detailed comparisons of the 1-D model and CFD model are conducted.

Monolith Reactor SCR Washcoat Diffusion Mass Transfer Numerical Modeling

Tronconi E, Forzatti P, AIChE J., 38, 201 (1992)
Heck RM, Gulati S, Farrauto RJ, Chem. Eng. J., 82(1-3), 149 (2001)
Khanaev V, Borisova E, Noskov A, Theor. Found. Chem. Eng., 39, 478 (2005)
Chatterjee D, Burkhardt T, Bandl-Konrad B, Braun T, Tronconi E, Nova I, Ciardelli C, SAE transactions, 2005-01-0965, 437 (2005).
Chatterjee D, Burkhardt T, Weibel M, Nova I, Grossale A, Tronconi E, SAE Technical Paper Series, 2007-01-1136 (2007).
Tronconi E, Nova I, Ciardelli C, Chatterjee D, Bandl-Konrad B, Burkhardt T, Catal. Today, 105(3-4), 529 (2005)
Scheuer A, Hirsch O, Hayes R, Vogel H, Votsmeier M, Catal. Today, 175(1), 141 (2011)
Kumar P, Makki I, Kerns J, Grigoriadis K, Franchek M, Balakotaiah V, Chem. Eng. Sci., 73, 373 (2012)
Chen CT, Tan WL, J. Taiwan Inst. Chem. Eng., 43, 409 (2012)
Colombo M, Nova I, Tronconi E, Schmeisser V, Bandl-Konrad B, Zimmermann L, Appl. Catal. B: Environ., 111, 106 (2012)
Su QY, Xie L, Shuai SJ, Wang JX, Song JN, Li ZJ, Catal. Today, 216, 292 (2013)
Deutschmann O, Maier LI, Riedel U, Stroemman AH, Dibble RW, Catal. Today, 59(1-2), 141 (2000)
Kusaka J, Sueoka M, Takada K, Ohga Y, Nagasaki T, Daisho Y, Int. J. Engine Res., 6, 11 (2005)
Koop J, Deutschmann O, SAE Technical Paper Series, 2007-01-1142 (2007).
Lei Z, Liu X, Jia M, Energy Fuels, 23, 6151 (2009)
Riyandwita BW, Bae MW, BAE Technical Paper Series, 2011-01-1240 (2011).
Sawatmongkhon B, Tsolakis A, Theinnoi K, York APE, Millington PJ, Rajaram RR, Appl. Catal. B: Environ., 111, 165 (2012)
Ogidiama OV, Shamim T, Energy Procedia, 61, 2154 (2014)
Sadeghi F, Tirandazi B, Khalili-Garakani A, Nasseri S, Nodehi RN, Mostoufi N, Chem. Eng. Res. Des., 118, 21 (2017)
Zheng CH, Xiao LF, Qu RY, Liu SJ, Xin Q, Ji PD, Song H, Wu WH, Gao X, Chem. Eng. J., 361, 874 (2019)
Braun J, Hauber T, Tobben H, Windmann J, Zacke P, Chatterjee D, Correa C, Deutschmann O, Maier L, Tischer S, SAE Technical Paper Series, 2002-01-0065 (2002).
Chatterjee D, Deutschmann O, Warnatz J, Faraday Discuss., 119, 371 (2002)
Windmann J, Braun J, Zacke P, Tischer S, Deutschmann O, Warnatz J, SAE transactions, 2003-01-0937, 713 (2003).
Holder R, Bollig M, Anderson DR, Hochmuth JK, Chem. Eng. Sci., 61(24), 8010 (2006)
Jeong SJ, Kim WS, Kim T, Int. J. Veh. Des., 29, 268 (2002)
Wu GJ, Song T, Energy Conv. Manag., 46(13-14), 2010 (2005)
Hayes RE, Fadic A, Mmbaga J, Najafi A, Catal. Today, 188(1), 94 (2012)
Tischer S, Correa C, Deutschmann O, Catal. Today, 69(1-4), 57 (2001)
Canu P, Vecchi S, AIChE J., 48(12), 2921 (2002)
Di Benedetto A, Landi G, Di Sarli V, Barbato PS, Pirone R, Russo G, Catal. Today, 197(1), 206 (2012)
Grimm M, Mazumder S, Comput. Chem. Eng., 32(3), 552 (2008)
Arzamendia G, Dieguez PM, Montes M, Odriozola JA, Sousa-Aguiar EF, Gandia LM, Chem. Eng. J., 154(1-3), 168 (2009)
Zhai XL, Ding S, Cheng YH, Jin Y, Cheng Y, Int. J. Hydrog. Energy, 35(11), 5383 (2010)
Lao LF, Aguirre A, Tran A, Wu Z, Durand H, Christofides PD, Chem. Eng. Sci., 148, 78 (2016)
Ma R, Castro-Dominguez B, Dixon AG, Ma YH, Int. J. Hydrog. Energy, 43(15), 7662 (2018)
Ashraf MA, Sanz O, Italiano C, Vita A, Montes M, Specchia S, Chem. Eng. J., 334, 1792 (2018)
von Rickenbach J, Lucci F, Narayanan C, Eggenschwiler PD, Poulikakos D, Chem. Eng. J., 276, 388 (2015)
Hayes RE, Liu B, Votsmeier M, Chem. Eng. Sci., 60(7), 2037 (2005)
Bhattacharya M, Harold MP, Balakotaiah V, AIChE J., 50(11), 2939 (2004)
Joshi SY, Harold MP, Balakotaiah V, Chem. Eng. Sci., 65(5), 1729 (2010)
Mladenov N, Koop J, Tischer S, Deutschmann O, Chem. Eng. Sci., 65(2), 812 (2010)
Irani M, Alizadehdakhel A, Pour AN, Hoseini N, Adinehnia M, Int. J. Hydrog. Energy, 36(24), 15602 (2011)
Du Y, Wang PW, Int. J. Hydrog. Energy, 39(7), 3572 (2014)
Coltrin ME, Kee J, Rupley FM, Int. J. Chem. Kinet., 23, 1111 (1991)
Olsson L, Wijayanti K, Leistner K, Kumar A, Joshi SY, Kamasamudram K, Currier NW, Yezerets A, Appl. Catal. B: Environ., 174, 212 (2015)
Tomadakis MM, Sotirchos SV, Chem. Eng. Sci., 48, 3323 (1993)
Wu LL, Degirmenci V, Magusin PCMM, Lousberg NJHGM, Hensen EJM, J. Catal., 298, 27 (2013)
Cordiner S, De Simone G, Mulone V, SAE Technical Paper Series, 2007-01-4007 (2007).
Stutz MJ, Poulikakos D, Chem. Eng. Sci., 63(7), 1761 (2008)
Quiney AS, Germani G, Schuurman Y, J. Power Sources, 160(2), 1163 (2006)
Chiuta S, Everson RC, Neomagus HWJP, Le Grange LA, Bessarabov DG, Int. J. Hydrog. Energy, 39(22), 11390 (2014)
Metkar PS, Harold MP, Balakotaiah V, Chem. Eng. Sci., 87, 51 (2013)
Depcik C, Assanis D, Prog. Energy Combust. Sci., 31(4), 308 (2005)
West DH, Balakotaiah V, Jovanovic Z, Catal. Today, 88(1-2), 3 (2003)
Joshi SY, Harold MP, Balakotaiah V, Chem. Eng. Sci., 64, 6976 (2009)
Balakotaiah V, Chem. Eng. Sci., 63(24), 5802 (2008)
Leung D, Hayes RE, Kolaczkowski ST, Can. J. Chem. Eng., 74(1), 94 (1996)