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Decoding complexity of chemical reactions

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Abstract

Three approaches for grasping chemical complexity using data of kinetic measurements are presented, i.e. ‘gray-box’ approach, non-steady-state kinetic monitoring (“chemical calculus”) and pattern analysis. All approaches are illustrated by original results.

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References

  1. Gorban, A.N. and Yablonsky, G.S., Grasping complexity, Comput. Math. Appl., 2013, vol. 65, pp. 1421–1426.

    Article  Google Scholar 

  2. Marin, G.B. and Yablonsky, G.S., Kinetics of Chemical Reactions: Decoding Complexity, Weinheim: Wiley, 2011.

    Google Scholar 

  3. Boreskov, G.K. and Slin’ko, M.G., Mathematical modeling of catalytic processes, Teor. Osn. Khim. Tekhnol, 1967, vol. 1, pp. 5–16.

    CAS  Google Scholar 

  4. Yablonskii, G.S., Bykov, V.I., Gorban, A.N., and Elokhin, V.I., Kinetic models of catalytic reactions, in Comprehensive Chemical Kinetics, Compton, R.G, Ed., Amsterdam: Elsevier, 1991, vol. 32.

    Google Scholar 

  5. Yablonskii, G.S. and Elokhin, V.I., Kinetic models of heterogeneous catalysis, in Perspectives in Catalysis: A “Chemistry for the 21st Century” Monograph, Thomas, J.M. and Zamaraev, K.I., Eds., Oxford: Blackwell, 1992, pp.191–249.

    Google Scholar 

  6. Lazman, M.Z. and Yablonsky, G.S., Ch. 2. Overall reaction rate equation of single-route complex catalytic reaction, in. Advances in Chemical Engineering—Mathematics in Chemical Engineering and Kinetics, Marin, G.B. West, D.H., and Yablonsky, G.S, Eds., Amsterdam: Elsevier, 2008, vol. 34, pp. 47–102.

    Article  CAS  Google Scholar 

  7. Yablonsky, G.S., Pilasombat, R., Breen, J.P., Burch, R., and Hengrasmee, S., Cycles across an equilibrium: a kinetic investigation of the reverse and forward WGS reaction over a 2% Pt/CeO2 catalyst (experimental data and qualitative interpretation), Chem. Eng. Sci., 2010, vol. 65, pp. 2325–2332.

    Article  CAS  Google Scholar 

  8. Gleaves, J.T., Ebner, J.R., and Kuechler, T.C., Temporal analysis of products (TAP) - a unique catalyst evaluation system with submillisecond time resolution, Catal. Rev. Sci. Eng., 1988, vol. 30, pp. 49–116.

    Article  CAS  Google Scholar 

  9. Gleaves, J.T., Yablonskii, G.S., Phanawadee, P., and Schuurman, Y., TAP-2: an interrogative kinetics approach, Appl. Catal., A, 1997, vol. 160, pp. 55–88.

    Article  CAS  Google Scholar 

  10. Kondratenko, E.V. and Perez-Ramirez, J., The TAP reactor in catalysis: recent advances in theory and practice, Catal. Today, 2007, vol. 121, pp. 160–169.

    Article  Google Scholar 

  11. Yablonsky, G.S., Olea, M., and Marin, G.B., Temporal analysis of products: basic principles, applications, and theory, J. Catal., 2005, vol. 216, pp. 120–134.

    Article  Google Scholar 

  12. Gleaves, J.T., Yablonsky, G., Zheng, X., Fushimi, R., and Mills, P.L., Temporal analysis of products (TAP)—recent advances in technology for kinetic analysis of multi-component catalysts, J. Mol. Catal. A: Chem., 2010, vol. 315, pp. 108–124.

    Article  CAS  Google Scholar 

  13. Shekhtman, S.O., Yablonsky, G.S., Chen, S., and Gleaves, J.T., Thin-zone TAP-reactor—theory and application, Chem. Eng. Sci., 1999, vol. 54, pp. 4371–4378.

    Article  CAS  Google Scholar 

  14. Yablonsky, G.S., Constales, D., Shekhtman, S.O., and Gleaves, J.T., The Y-procedure: how to extract the chemical transformation rate from reaction-diffusion data with no assumption on the kinetic model, Chem. Eng. Sci., 2007, vol. 62, pp. 6754–6767.

    Article  CAS  Google Scholar 

  15. Redekop, E., Yablonsky, G., Constales, D., Ramachandrana, P., Pherigoe, C., and Gleaves, J.T., The Y-procedure methodology for the interpretation of transient kinetic data: analysis of irreversible adsorption, Chem. Eng. Sci., 2011, vol. 66, pp. 6441–6452.

    Article  CAS  Google Scholar 

  16. Yablonsky, G., Constales, D., and Marin, G., Coincidences in chemical kinetics: surprising news about simple reactions, Chem. Eng. Sci., 2010, vol. 65, pp. 2325–2332.

    Article  CAS  Google Scholar 

  17. Yablonsky, G., Constales, D., and Marin, G., Equilibrium relationships for non-equilibrium chemical dependences, Chem. Eng. Sci., 2011, vol. 66, pp. 111–114.

    Article  CAS  Google Scholar 

  18. Yablonsky, G., Gorban, A.N., Constales, D., Galvita, V., and Marin, G.B., Reciprocal relations between kinetic curves, Europhys. Lett., 2011, vol. 93, pp. 20004 (1–6).

    Article  Google Scholar 

  19. Constales, D., Yablonsky, G., Galvita, V., and Marin, G.B., Thermodynamic time invariants: theory of TAP pulseresponse experiments, Chem. Eng. Sci., 2011, vol. 66, pp. 4683–4689.

    Article  CAS  Google Scholar 

  20. Constales, D., Yablonsky, G.S., and Marin, G.B., Thermodynamic time invariants for dual kinetic experiments: nonlinear single reactions and more, Chem. Eng. Sci., 2012, vol. 73, pp. 20–29.

    Article  CAS  Google Scholar 

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Correspondence to G. S. Yablonsky.

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Yablonsky, G.S. Decoding complexity of chemical reactions. Theor Found Chem Eng 48, 608–613 (2014). https://doi.org/10.1134/S004057951405025X

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  • DOI: https://doi.org/10.1134/S004057951405025X

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