1999-2002

Publications

1999 – 2002

  • R. Lam, D. G. Vlachos and M. A. Katsoulakis, Homogenization of mesoscopic theories: Effective properties of model membranes, AIChE Journal 48(5), 1083-1092 (2002).
  • S. Raimondeau and D. G. Vlachos, Recent developments on multiscale, hierarchical modeling of chemical reactors, Chemical Engineering Journal 90(1-2), 3-23 (2002).
  • S. Raimondeau and D. G. Vlachos, The role of adsorbate-layer nonuniformities in catalytic reactor design: Multiscale simulations for CO oxidation on Pt, Comput. Chem. Eng. 26(7-8), 965-980 (2002).
  • G. Bonilla, M. Tsapatsis, D. G. Vlachos and G. Xomeritakis, Fluorescence confocal optical microscopy of the grain boundary structure of zeolite MFI membranes made by secondary (seeded) growth, J. Membrane Sci. 182(1-2), 103-109 (2001).
  • G. Bonilla, D. G. Vlachos and M. Tsapatsis, Simulations and experiments on the growth and microstructure of zeolite MFI films and membranes made by secondary growth, Microporous and Mesoporous Materials 42(2-3), 191-203 (2001).
  • N. E. Fernandes, S. M. Fisher, J. C. Poshusta, D. G. Vlachos, M. Tsapatsis and J. J. Watkins, Reactive deposition of metal thin films within porous supports from supercritical fluids, Chemistry of Materials 13, 2023-2031 (2001).
  • D. J. Horntrop, M. A. Katsoulakis and D. G. Vlachos, Spectral methods for mesoscopic models of pattern formation, Journal of Computational Physics 173, 364-390 (2001).
  • R. Lam, T. Basak, D. G. Vlachos and M. A. Katsoulakis, Validation of mesoscopic theories and their application to computing effective diffusivities, Journal of Chemical Physics 115(24), 11278-11288 (2001).
  • R. Lam and D. G. Vlachos, A multiscale model for epitaxial growth of films: Growth mode transition, Physical Review B 64(3), 5401-5410 (2001).
  • V. Nikolakis, G. Xomeritakis, A. Abibi, M. Dickson, M. Tsapatsis and D. G. Vlachos, Growth of faujasite-type zeolite membrane and its application in the separation of saturated/unsaturated hydrocarbon mixtures, J. Membrane Sci. 184(2), 209-219 (2001).
  • J. S. Reese, S. Raimondeau and D. G. Vlachos, Monte Carlo algorithms for complex surface reaction mechanisms: Efficiency and accuracy, Journal of Computational Physics 173(1), 302-321 (2001).
  • P. Aghalayam, Y. K. Park and D. G. Vlachos, Construction and optimization of detailed surface reaction mechanisms, AIChE J. 46(10), 2017-2029, This paper was selected in the highlights of Chem. Eng. Progress (paper of the month), p., Oct. issue, 2000. (2000).
  • P. Aghalayam, Y. K. Park and D. G. Vlachos, A detailed surface reaction mechanism for CO oxidation on Pt, Proc. Combust. Inst. 28, 1331-1339 (2000).
  • P. Aghalayam, Y. K. Park and D. G. Vlachos, Partial oxidation of light alkanes in short contact time microreactors, Catalysis 15, 98-137, invited (2000).
  • M. Gummalla, P.-A. Bui and D. G. Vlachos, Nonlinear dynamics of surface stabilized premixed and diffusion flames: Current trends and future directions, Chemical Engineering Science 55, 311-319 (2000).
  • M. Gummalla and D. G. Vlachos, Complex dynamics of combustion flows by direct numerical simulations, Phys. Fluids 12(2), 252-255 (2000).
  • M. A. Katsoulakis and D. G. Vlachos, From microscopic interactions to macroscopic laws of cluster evolution, Physical Review Letters 84(7), 1511-1514 (2000).
  • V. Nikolakis, E. Kokkoli, M. Tirrell, M. Tsapatsis and D. G. Vlachos, Zeolite growth by addition of subcolloidal particles: Modeling and experimental validation, Chemistry of Materials 12(3), 845-853 (2000).
  • S. Raimondeau and D. G. Vlachos, Low-dimensional approximations of multiscale epitaxial growth models for microstructure control of materials, Journal of Computational Physics 160, 564-576 (2000).
  • M. Tsapatsis, D. G. Vlachos, S. Kim, H. Ramanan and G. R. Gavalas, Spontaneous formation of periodically patterned deposits by chemical vapor deposition, J. Am. Chem. Soc. 122(51), 12864-12865 (2000).
  • D. G. Vlachos and M. A. Katsoulakis, Derivation and validation of mesoscopic theories for diffusion of interacting molecules, Physical Review Letters 85(18), 3898-3901 (2000).
  • P.-A. Bui, D. G. Vlachos and P. R. Westmoreland, On the local stability of multiple solutions and oscillatory dynamics of spatially distributed flames, Combustion and Flame 117(1-2), 307-322 (1999).
  • N. Fernandes, Y. K. Park and D. G. Vlachos, The autothermal behavior of platinum catalyzed hydrogen oxidation: Experiments and modeling, Combustion and Flame 118(1-2), 164-178 (1999).
  • M. Gummalla, D. G. Vlachos and M. A. Delichatsios, Bifurcations and structure of surface interacting methane-air diffusion flames, Combustion and Flame 120(3), 333-345 (1999).
  • V. Nikolakis, D. G. Vlachos and M. Tsapatsis, Modeling of zeolite L crystallization using continuum time Monte Carlo simulations, Journal of Chemical Physics 111(5), 2143-2150 (1999).
  • R. J. Olsen and D. G. Vlachos, A complete pressure-temperature diagram for air oxidation of hydrogen in a continuous-flow stirred tank reactor, Journal of Physical Chemistry A 103(40), 7990 – 7999 (1999).
  • Y. K. Park, P. Aghalayam and D. G. Vlachos, A generalized approach for predicting coverage-dependent reaction parameters of complex surface reactions: Application to H2 oxidation over platinum, Journal of Physical Chemistry A 103(40), 8101-8107 (1999).
  • Y. K. Park, N. E. Fernandes and D. G. Vlachos, Effect of dilution on catalytic oxidation: Model validation through experiments and prediction of operation regimes, Chemical Engineering Science 54(15-16), 3635-3642 (1999).
  • S. Raimondeau, M. Gummalla, Y. K. Park and D. G. Vlachos, Reaction network reduction for distributed systems by model training in lumped reactors: Application to bifurcations in combustion, Chaos: an Interdisciplinary Journal of Nonlinear Science 9(1), 95-107 (1999).
  • D. G. Vlachos, The role of macroscopic transport phenomena in film microstructure during epitaxial growth, Applied Physics Letters 74(19), 2797-2799 (1999).