메뉴 건너뛰기




Volumn 53, Issue 1, 1998, Pages 157-168

Stochastic modeling of chemical microreactors with detailed kinetics - Induction times and ignitions of H2 in air

Author keywords

Detailed kinetics; Ignition; Microreactors; Monte Carlo

Indexed keywords

AIR; ALGORITHMS; FLAME RESEARCH; HYDROGEN; IGNITION; MATHEMATICAL MODELS; MONTE CARLO METHODS; RANDOM PROCESSES; REACTION KINETICS;

EID: 0031908119     PISSN: 00092509     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2509(97)00275-3     Document Type: Article
Times cited : (28)

References (39)
  • 1
    • 0029347219 scopus 로고
    • A numerical investigation of extinction and ignition limits in laminar nonpremixed counter-flowing hydrogen air streams for elementary and reduced chemistry
    • Balakrishnan, G., Smooke, M. D. and Williams, F. A. (1995) A numerical investigation of extinction and ignition limits in laminar nonpremixed counter-flowing hydrogen air streams for elementary and reduced chemistry. Combust. Flame 102, 329-340.
    • (1995) Combust. Flame , vol.102 , pp. 329-340
    • Balakrishnan, G.1    Smooke, M.D.2    Williams, F.A.3
  • 4
    • 0010574664 scopus 로고
    • Theory of chemical fluctuations in thermal explosions
    • de Pasquale, F. and Mecozzi, A. (1985) Theory of chemical fluctuations in thermal explosions. Phys. Rev. A 31, 2454-2459.
    • (1985) Phys. Rev. A , vol.31 , pp. 2454-2459
    • De Pasquale, F.1    Mecozzi, A.2
  • 5
    • 0002552719 scopus 로고
    • The oxidation of hydrogen and carbon monoxide
    • Ed. C. H. Bamford and C. F. H. Tipper, Elsevier, Amsterdam
    • Dixon-Lewis, G. and Williams, D. J. (1977) The oxidation of hydrogen and carbon monoxide. In Comprehensive Chemical Kinetics, Ed. C. H. Bamford and C. F. H. Tipper, Vol. 17, pp. 1-248. Elsevier, Amsterdam.
    • (1977) Comprehensive Chemical Kinetics , vol.17 , pp. 1-248
    • Dixon-Lewis, G.1    Williams, D.J.2
  • 6
    • 36749111598 scopus 로고
    • Computational kinetics and sensitivity analysis of hydrogen-oxygen combustion
    • Dougherty, E. P. and Rabitz, H. (1980) Computational kinetics and sensitivity analysis of hydrogen-oxygen combustion. J. Chem. Phys. 72, 6571-6586.
    • (1980) J. Chem. Phys. , vol.72 , pp. 6571-6586
    • Dougherty, E.P.1    Rabitz, H.2
  • 8
    • 0001015245 scopus 로고
    • Transient evolution towards a unique stable state: Stochastic analysis of explosive behavior in a chemical system
    • Frankowicz, M. and Nicolis, G. (1983) Transient evolution towards a unique stable state: Stochastic analysis of explosive behavior in a chemical system. J. Statist. Phys. 33, 595-609.
    • (1983) J. Statist. Phys. , vol.33 , pp. 595-609
    • Frankowicz, M.1    Nicolis, G.2
  • 9
    • 0017030517 scopus 로고
    • A general method for numerically simulating the stochastic evolution of coupled chemical reactions
    • Gillespie, D. T. (1976) A general method for numerically simulating the stochastic evolution of coupled chemical reactions. J. Comput. Phys. 22, 403-434.
    • (1976) J. Comput. Phys. , vol.22 , pp. 403-434
    • Gillespie, D.T.1
  • 10
    • 33645429016 scopus 로고
    • Exact stochastic simulation of coupled chemical reactions
    • Gillespie, D. T. (1977) Exact stochastic simulation of coupled chemical reactions. J. Phys. Chem. 81, 2340-2361.
    • (1977) J. Phys. Chem. , vol.81 , pp. 2340-2361
    • Gillespie, D.T.1
  • 11
    • 0010610445 scopus 로고
    • The adiabatic thermal explosion in a small system: Comparison of the stochastic approach with the molecular dynamics simulation
    • Gorecki, J. and Gryko, J. (1987) The adiabatic thermal explosion in a small system: comparison of the stochastic approach with the molecular dynamics simulation. J. Statist. Phys. 48, 329-342.
    • (1987) J. Statist. Phys. , vol.48 , pp. 329-342
    • Gorecki, J.1    Gryko, J.2
  • 12
    • 0010577345 scopus 로고
    • On the stochastic theory of adiabatic thermal explosion in small systems-numerical results
    • Gorecki, J. and Popielawski, J. (1986) On the stochastic theory of adiabatic thermal explosion in small systems-numerical results. J. Statist. Phys. 44, 941-954.
    • (1986) J. Statist. Phys. , vol.44 , pp. 941-954
    • Gorecki, J.1    Popielawski, J.2
  • 13
    • 0021758232 scopus 로고
    • Ignitions, extinctions and thermokinetic oscillations accompanying the oxidation of ethane in an open system (continuously stirred tank reactor)
    • Gray, P., Griffiths, J. F. and Hasko, S. M. (1984a) Ignitions, extinctions and thermokinetic oscillations accompanying the oxidation of ethane in an open system (continuously stirred tank reactor). Proc. Roy. Soc. Lond. A 396, 227-255.
    • (1984) Proc. Roy. Soc. Lond. A , vol.396 , pp. 227-255
    • Gray, P.1    Griffiths, J.F.2    Hasko, S.M.3
  • 14
    • 0021757963 scopus 로고
    • Branched-chain reactions in open systems: Theory of the oscillatory ignition limit for the hydrogen + oxygen reaction in a continuous-flow stirred-tank reactor
    • Gray, P., Griffiths, J. F. and Scott, S. K. (1984b) Branched-chain reactions in open systems: theory of the oscillatory ignition limit for the hydrogen + oxygen reaction in a continuous-flow stirred-tank reactor. Proc. Roy. Soc. Lond. A 394, 243-258.
    • (1984) Proc. Roy. Soc. Lond. A , vol.394 , pp. 243-258
    • Gray, P.1    Griffiths, J.F.2    Scott, S.K.3
  • 16
    • 0023561992 scopus 로고
    • Thermokinetic interactions: Fundamentals of spontaneous ignition and cool flames
    • Griffiths, J. F. and Scott, S. K. (1987) Thermokinetic interactions: fundamentals of spontaneous ignition and cool flames. Prog. Energy Combust. Sci. 13, 161-197.
    • (1987) Prog. Energy Combust. Sci. , vol.13 , pp. 161-197
    • Griffiths, J.F.1    Scott, S.K.2
  • 17
    • 0000868883 scopus 로고
    • Bifurcation behavior of premixed hydrogen/air mixtures in a continuous stirred tank reactor
    • Kalamatianos, S. and Vlachos, D. G. (1995) Bifurcation behavior of premixed hydrogen/air mixtures in a continuous stirred tank reactor. Combust. Sci. Technol. 109, 347-371.
    • (1995) Combust. Sci. Technol. , vol.109 , pp. 347-371
    • Kalamatianos, S.1    Vlachos, D.G.2
  • 19
    • 0003718518 scopus 로고
    • Chemkin-II: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical kinetics
    • SAND89-8009, Livermore, CA
    • Kee, R. J., Rupley, F. M. and Miller, J. A. (1991b) Chemkin-II: A FORTRAN chemical kinetics package for the analysis of gas-phase chemical kinetics. Sandia National Laboratories Report, SAND89-8009, Livermore, CA.
    • (1991) Sandia National Laboratories Report
    • Kee, R.J.1    Rupley, F.M.2    Miller, J.A.3
  • 20
    • 0029657567 scopus 로고    scopus 로고
    • Ignition in nonpremixed counterflowing hydrogen versus heated air: Computational study with detailed chemistry
    • Kreutz, T. G. and Law, C. K. (1996) Ignition in nonpremixed counterflowing hydrogen versus heated air: Computational study with detailed chemistry. Combust. Flame 104(1-2), 157-175.
    • (1996) Combust. Flame , vol.104 , Issue.1-2 , pp. 157-175
    • Kreutz, T.G.1    Law, C.K.2
  • 21
    • 58149367125 scopus 로고
    • Rate-controlled constrained equilibrium calculation of ignition delay times in hydrogen-oxygen mixtures
    • The Combustion Institute, Pittsburgh
    • Law, R., Metghalchi, M. and Keck, J. C. (1988) Rate-controlled constrained equilibrium calculation of ignition delay times in hydrogen-oxygen mixtures. In Proc. 22nd Symp. (Int.) on Combustion, pp. 1705-1713. The Combustion Institute, Pittsburgh.
    • (1988) Proc. 22nd Symp. (Int.) on Combustion , pp. 1705-1713
    • Law, R.1    Metghalchi, M.2    Keck, J.C.3
  • 23
    • 58149370310 scopus 로고
    • Dynamic effects of auto ignition centers for hydrogen and C1,2-hydrocarbon fuels
    • The Combustion Institute, Pittsburgh
    • Lutz, A. E., Kee, R. J., Miller, J. A., Dwyer, H. A. and Oppenheim, A. K. (1988) Dynamic effects of auto ignition centers for hydrogen and C1,2-hydrocarbon fuels. In Proc. 22nd Symp. (Int.) on Combustion, pp. 1683-1693. The Combustion Institute, Pittsburgh.
    • (1988) Proc. 22nd Symp. (Int.) on Combustion , pp. 1683-1693
    • Lutz, A.E.1    Kee, R.J.2    Miller, J.A.3    Dwyer, H.A.4    Oppenheim, A.K.5
  • 24
    • 0000783480 scopus 로고
    • Stochastic effects on the isothermal explosion arising in the oxidation of iron (II) by nitric acid
    • Mauricio, F. and Velasco, S. (1986) Stochastic effects on the isothermal explosion arising in the oxidation of iron (II) by nitric acid. J. Statist. Phys. 43, 521-536.
    • (1986) J. Statist. Phys. , vol.43 , pp. 521-536
    • Mauricio, F.1    Velasco, S.2
  • 25
    • 0024932917 scopus 로고
    • Mechanism and modeling of nitrogen chemistry in combustion
    • Miller, J. A. and Bowman, C. T. (1989) Mechanism and modeling of nitrogen chemistry in combustion. Prog. Energy Combust. Sci. 15, 287-338.
    • (1989) Prog. Energy Combust. Sci. , vol.15 , pp. 287-338
    • Miller, J.A.1    Bowman, C.T.2
  • 26
    • 0010540341 scopus 로고
    • Fluctuations in combustion
    • ed. G. Nicolis and F. Baras, D. Reidel, Dordrecht
    • Nicolis, G., Baras, F. and Malek Mansour, M. (1984) Fluctuations in combustion. In Chemical Instabilities, ed. G. Nicolis and F. Baras, Vol. 120, pp. 171-188. D. Reidel, Dordrecht.
    • (1984) Chemical Instabilities , vol.120 , pp. 171-188
    • Nicolis, G.1    Baras, F.2    Malek Mansour, M.3
  • 27
    • 0000922209 scopus 로고
    • Computer molecular dynamics studies of a chemical instability
    • Ortoleva, P. and Yip, S. (1976) Computer molecular dynamics studies of a chemical instability. J. Chem. Phys. 65, 2045-2051.
    • (1976) J. Chem. Phys. , vol.65 , pp. 2045-2051
    • Ortoleva, P.1    Yip, S.2
  • 29
    • 58149368903 scopus 로고
    • The structure and extinction of partially premixed flames in burning methane in air
    • The Combustion Institute, Pittsburgh
    • Smooke, M. D., Seshadri, K. and Puri, I. K. (1988) The structure and extinction of partially premixed flames in burning methane in air. In Proc. 22nd Symp. (Int.) Combustion, pp. 1555-1563. The Combustion Institute, Pittsburgh.
    • (1988) Proc. 22nd Symp. (Int.) Combustion , pp. 1555-1563
    • Smooke, M.D.1    Seshadri, K.2    Puri, I.K.3
  • 30
    • 0002921190 scopus 로고
    • 2 mixtures
    • 2 mixtures. AIAA J. 131, 19-43.
    • (1991) AIAA J. , vol.131 , pp. 19-43
    • Trevino, C.1
  • 31
    • 0010541027 scopus 로고
    • Critical fluctuations in a thermochemical instability. I. Mean field description
    • Van den Broeck, C. (1983) Critical fluctuations in a thermochemical instability. I. Mean field description. J. Statist. Phys. 32(1), 153-168.
    • (1983) J. Statist. Phys. , vol.32 , Issue.1 , pp. 153-168
    • Van Den Broeck, C.1
  • 32
    • 0014608391 scopus 로고
    • On the minimal initial size of an explosive reaction center
    • Van Tiggelen, P. J. (1969) On the minimal initial size of an explosive reaction center. Combust. Sci. Technol 1, 225-232.
    • (1969) Combust. Sci. Technol , vol.1 , pp. 225-232
    • Van Tiggelen, P.J.1
  • 33
    • 0010609540 scopus 로고
    • Instabilities in homogeneous nonisothermal reactors: Comparison of deterministic with Monte Carlo simulations
    • Vlachos, D. G. (1995a) Instabilities in homogeneous nonisothermal reactors: comparison of deterministic with Monte Carlo simulations. J. Chem. Phys. 102, 1781-1790.
    • (1995) J. Chem. Phys. , vol.102 , pp. 1781-1790
    • Vlachos, D.G.1
  • 34
    • 0029095914 scopus 로고
    • The interplay of transport, kinetics, and thermal interactions in the stability of premixed hydrogen/air flames near surfaces
    • Vlachos, D. G. (1995b) The interplay of transport, kinetics, and thermal interactions in the stability of premixed hydrogen/air flames near surfaces. Combust. Flame 103(1-2), 59-75.
    • (1995) Combust. Flame , vol.103 , Issue.1-2 , pp. 59-75
    • Vlachos, D.G.1
  • 35
    • 0030209413 scopus 로고    scopus 로고
    • Reduction of detailed kinetic mechanisms for ignition and extinction of premixed hydrogen/air flames
    • Vlachos, D. G. (1996) Reduction of detailed kinetic mechanisms for ignition and extinction of premixed hydrogen/air flames. Chem. Engng Sci. 51, 3979-3993.
    • (1996) Chem. Engng Sci. , vol.51 , pp. 3979-3993
    • Vlachos, D.G.1
  • 39
    • 0001508049 scopus 로고
    • Comparison of deterministic and stochastic kinetics for nonlinear systems
    • Zheng, Q. and Ross, J. (1991) Comparison of deterministic and stochastic kinetics for nonlinear systems. J. Chem. Phys. 94, 3644-3648.
    • (1991) J. Chem. Phys. , vol.94 , pp. 3644-3648
    • Zheng, Q.1    Ross, J.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.