Frontiers of Chemical Science and Engineering >
Coupling the porous conditional moment closure with the random pore model: applications to gasification and CO2 capture
Received date: 15 Sep 2011
Accepted date: 20 Nov 2011
Published date: 05 Mar 2012
Copyright
Gasification of coal or biomass with in situ CO2 capture simultaneously allows production of clean hydrogen at relatively low cost and reduced emission of CO2 into the atmosphere. Clearly, this technology has a great potential for a future carbon constrained economy. Therefore, the development of a comprehensive, physically-based gasifier model is important. The sub-models that describe reactive transport processes in coal particles as well as in particles of CO2 sorbent material are among the key sub-models, which provide a necessary input for an overall gasifier model. Both coal and sorbent are materials that have complicated pore structures. The porous conditional moment closure (PCMC) model proves to be adequate for modeling reactive transport through porous media with fixed pore structure. Consumption of coal in the heterogeneous gasification reaction, however, widens the pores and reduces the surface area available for this reaction. At the same time, formation of a carbonate layer narrows the pores in the sorbent material and reduces the reaction rate of CO2 sorption. In both cases the pore structures are affected. Such changes are not taken into account in the existing PCMC model. In this study, we obtain the parameters of the diffusive tracer distribution based on the pore size distribution given by the widely applied random pore model (RPM), while coupling PCMC with RPM. Such coupling allows taking into account changes in pore structure caused by heterogeneous reactions and thus improves the accuracy of these key sub-models.
Key words: gasification; CO2 capture; PCMC; RPM
D. N. SAULOV , C. R. CHODANKA , M. J. CLEARY , A. Y. KLIMENKO . Coupling the porous conditional moment closure with the random pore model: applications to gasification and CO2 capture[J]. Frontiers of Chemical Science and Engineering, 2012 , 6(1) : 84 -93 . DOI: 10.1007/s11705-011-1164-2
1 |
IEA. World energy outlook, 2009
|
2 |
Damm D L, Fedorov A G. Conceptual study of distributed CO2 capture and the sustainable carbon economy. Energy Conversion and Management, 2008, 49(6): 1674–1683
|
3 |
Wall T F. Combustion processes for carbon capture. Proceedings of the Combustion Institute, 2007, 31(1): 31–47
|
4 |
Aaron D, Tsouris C. Separation of CO2 from flue gas: a review. Separation Science and Technology, 2005, 40(1-3): 321–348
|
5 |
Yeh J T, Pennline H W, Resnik K P. Study of CO2 absorption and desorption in a packed column. Energy & Fuels, 2001, 15(2): 274–278
|
6 |
Rochelle G T, Seibert F, Closmann F, Cullinane T, Davis J. CO2 capture by absorption with potassium carbonate. Tech Rep, Texas University, Austin, United States, 2007
|
7 |
Versteeg G, van Dijck L, Van Swaaij W. On the kinetics between CO2 and alkanolamines both in aqueous and non-aqueous solutions: an overview. Chemical Engineering Communications, 1996, 144(1): 133–158
|
8 |
Hernandez L O G, Gutierrez D L, Collins-Martinez V, Ortiz A L. Synthesis, characterization and high temperature CO2 capture evaluation of Li2ZrO3-Na2ZrO3 mixtures. Journal of New Materials for Electrochemical Systems, 2008, 11(2): 137–142
|
9 |
Meratla Z. Combining cryogenic flue gas emission remediation with a CO2/O2 combustion cycle. Energy Conversion and Management, 1997, 38(9999): S147–S152
|
10 |
da Costa J C D, Lu G Q, Rudolph V. Membrane-based gas separation: Potential energy recovery and greenhouse abatement applications. Developments in chemical engineering and mineral processing, 1997, 5(1-2): 89–100
|
11 |
Carapellucci R, Milazzo A. Membrane systems for CO2 capture and their integration with gas turbine plants. Proceedings of the Institution of Mechanical Engineers. Part A, Journal of Power and Energy, 2003, 217(5 A5): 505–517
|
12 |
Bounaceur R, Lape N, Roizard D, Vallieres C, Favre E. Membrane processes for post-combustion carbon dioxide capture: a parametric study. Energy, 2006, 31(14): 2556–2570
|
13 |
Smart S, Lin C X C, Ding L, Thambimuthu K, Diniz da Costa J C. Ceramic membranes for gas processing in coal gasification. Energy and Environmental Sciemce, 2010, 3(3): 268–278
|
14 |
Maroto-Valer M M, Tang Z, Zhang Y. CO2 capture by activated and impregnated anthracites. Fuel Processing Technology, 2005, 86(14-15): 1487–1502
|
15 |
Song C. Global challenges and strategies for control, conversion and utilization of CO2 for sustainable development involving energy, catalysis, adsorption and chemical processing. Catalysis Today, 2006, 115(1-4): 2–32
|
16 |
Mérel J, Clausse M, Meunier F. Carbon dioxide capture by indirect thermal swing adsorption using 13X zeolite. Environment and Progress, 2006, 25(4): 327–333
|
17 |
Zhang J, Webley P A, Xiao P. Effect of process parameters on power requirements of vacuum swing adsorption technology for CO2 capture from flue gas. Energy Conversion and Management, 2008, 49(2): 346–356
|
18 |
An H, Feng B, Su S. CO2 capture by electrothermal swing adsorption with activated carbon fibre materials. International Journal of Greenhouse Gas Control, 2011, 5(1): 16–25
|
19 |
Feng B, An H, Tan E. Screening of CO2 adsorbing materials for zero emission power generation systems. Energy & Fuels, 2007, 21(2): 426–434
|
20 |
Barker R. Reversibility of the reaction CaCO3 reversible reaction CaO plus CO2. Journal of Applied Chemistry and Biotechnology, 1973, 23(10): 733–742
|
21 |
Abanades J C. The maximum capture efficiency of CO2 using a carbonation/calcination cycle of CaO/CaCO3. Chemical Engineering Journal, 2002, 90(3): 303–306
|
22 |
Abanades J C, Alvarez D. Conversion limits in the reaction of CO2 with lime. Energy & Fuels, 2003, 17(2): 308–315
|
23 |
Feng B, Liu W, Li X, An H. Overcoming the problem of loss-in-capacity of calcium oxide in CO2 capture. Energy & Fuels, 2006, 20(6): 2417–2420
|
24 |
Peirano E, Delloume V, Leckner B. Two- or three-dimensional simulations of turbulent gas-solid flows applied to fluidization. Chemical Engineering Science, 2001, 56(16): 4787–4799
|
25 |
Gao K, Wu J, Wang Y, Zhang D. Bubble dynamics and its effect on the performance of a jet fluidised bed gasifier simulated using CFD. Fuel, 2006, 85(9): 1221–1231
|
26 |
Gräbner M, Ogriseck S, Meyer B. Numerical simulation of coal gasification at circulating fluidised bed conditions. Fuel Processing Technology, 2007, 88(10): 948–958
|
27 |
Yu L, Lu J, Zhang X, Zhang S. Numerical simulation of the bubbling fluidized bed coal gasification by the kinetic theory of granular flow (KTGF). Fuel, 2007, 86(5-6): 722–734
|
28 |
Almuttahar A, Taghipour F. Computational fluid dynamics of high density circulating fluidized bed riser: study of modeling parameters. Powder Technology, 2008, 185(1): 11–23
|
29 |
Hartge E U, Ratschow L, Wischnewski R, Werther J. CFD-simulation of a circulating fluidized bed riser. Particuology, 2009, 7(4): 283–296
|
30 |
Armstrong L M, Gu S, Luo K H. Effects of limestone calcination on the gasification processes in a BFB coal gasifier. Chemical Engineering Journal, 2011, 168(2): 848–860
|
31 |
Zhou W, Zhao C S, Duan L B, Qu C R, Chen X P. Two-dimensional computational fluid dynamics simulation of coal combustion in a circulating fluidized bed combustor. Chemical Engineering Journal, 2011, 166(1): 306–314
|
32 |
Gidaspow D. Multiphase flow and fluidization: continuum and kinetic theory descriptions. London: Academic Press Limited, 1994
|
33 |
Klimenko A Y, Abdel-Jawad M M. Conditional methods for continuum reacting flows in porous media. Proceedings of the Combustion Institute, 2007, 31(2): 2107–2115
|
34 |
Quintard M, Whitaker S. Transport in ordered and disordered porous media. Transport inPorous Media, 1994, 14: 163–177
|
35 |
Vladimirov I G, Klimenko A Y. Tracing diffusion in porous media with fractal properties. Multiscale Modeling and Simulation, 2010, 8(4): 1178–1211
|
36 |
Bhatia S K, Perlmutter D D. A random pore model for fluid-solid reactions: I. Isothermal, kinetic control. AIChE Journal. American Institute of Chemical Engineers, 1980, 26(3): 379–386
|
37 |
Bhatia S K, Perlmutter D D. A random pore model for fluid-solid reactions: II. Diffusion and transport effects. AIChE Journal. American Institute of Chemical Engineers, 1981, 27(2): 247–254
|
38 |
Su J L, Perlmutter D D. Effect of pore structure on particle ignition during exothermic gasification reactions. AIChE Journal. American Institute of Chemical Engineers, 1985, 31(1): 157–160
|
39 |
Liu G, Benyon P, Benfell K E, Bryant G W, Tate A G, Boyd R K, Harris D J, Wall T F. The porous structure of bituminous coal chars and its influence on combustion and gasification under chemically controlled Conditions. Fuel, 2000, 79(6): 617–626
|
40 |
Ochoa J, Cassanello M C, Bonelli P R, Cukierman A L. CO2 gasification of Argentinean coal chars: A kinetic characterization. Fuel Processing Technology, 2001, 74(3): 161–176
|
41 |
Kajitani S, Hara S, Matsuda H. Gasification rate analysis of coal char with a pressurized drop tube furnace. Fuel, 2002, 81(5): 539–546
|
42 |
Feng B, Bhatia S K. Variation of the pore structure of coal chars during gasification. Carbon, 2003, 41(3): 507–523
|
43 |
Kajitani S, Suzuki N, Ashizawa M, Hara S. CO2 gasification rate analysis of coal char in entrained flow coal gasifier. Fuel, 2006, 85(2): 163–169
|
44 |
Chodankar C R, Feng B, Ran J, Klimenko A Y. Kinetic study of the gasification of an Australian bituminous coal char in carbon dioxide. Asia-Pacific Journal of Chemical Engineering, 2010, 5(3): 413–419
|
45 |
Klimenko A Y, Bilger R W. Conditional moment closure for turbulent combustion. Progress in Energy and Combustion Science, 1999, 25(6): 595–687
|
46 |
Gray W G, Lee P C Y. On the theorems for local volume averaging of multiphase systems. International Journal of Multiphase Flow, 1977, 3(4): 333–340
|
47 |
Adler P. In: Fractal Approach to Heterogeneous Chemistry. Anvir D, ed. New York: John Wiley & Sons, 1989
|
48 |
Lenormand R. Applications of fractal concepts in petroleum engineering. Physica D. Nonlinear Phenomena, 1989, 38(1-3): 230–234
|
49 |
Barton C C, La Pointe P. R. Fractals in Petroleum Geology and Earth Processes. New York: Plenum Press, 1995
|
50 |
Devaud C B, Bilger R W, Liu T. A new method of modeling the conditional scalar dissipation rate. Physics of Fluids, 2004, 16(6): 2004–2111
|
51 |
Bhatia S K, Perlmutter D D. Effect of the product layer on the kinetics of the CO2-lime reaction. AIChE Journal, 1983, 29(1): 79–86
|
/
〈 | 〉 |