G. Bonilla, I. Diaz, M. Tsapatsis, H.-K. Jeong, Y. Lee and D. G. Vlachos, Zeolite (MFI) crystal morphology control using organic structure-directing agents, Chem. Mater. 16, 5697-5705 (2004).
Chatterjee, M. A. Snyder and D. G. Vlachos, Mesoscopic modeling of chemical reactivity (invited), Chemical Engineering Science 59, 5559–5567 (2004).
Chatterjee, D. G. Vlachos and M. A. Katsoulakis, Spatially adaptive lattice coarse-grained Monte Carlo simulations for diffusion of interacting molecules, Journal of Chemical Physics 121(22), 11420-11431 (2004).
S. G. Davis, A. B. Mhadeshwar, D. G. Vlachos and H. Wang, A new approach to response surface development for detailed gas-phase and surface reaction kinetic model development and optimization, Int. J. Chem. Kinet. 36, 94-106 (2004).
S. R. Deshmukh, A. B. Mhadeshwar, M. I. Lebedeva and D. G. Vlachos, From density functional theory to microchemical device homogenization: Model prediction of hydrogen production for portable fuel cells, International Journal on Multiscale Computational Engineering 2(2), 221-238 (2004).
S. R. Deshmukh, A. B. Mhadeshwar and D. G. Vlachos, Microreactor modeling for hydrogen production from ammonia decomposition on ruthenium, Ind. Eng. Chem. Res. 43, 2986-2999 (2004).
Diaz, G. Bonilla, Z. Lai, O. Terasaki, D. G. Vlachos and M. Tsapatsis, Silicalite-1 crystals with modified morphology: HRTEM imaging and synthesis of b-oriented films, Stud. Surf. Sci. Cat. 154, 1160-1167 (2004).
J. M. Fedeyko, J. D. Rimer, R. F. Lobo and D. G. Vlachos, Spontaneous formation of silica nanoparticles in basic solutions of small tetraalkylammonium cations, Journal of Physical Chemistry B 108, 12271-12275 (2004).
J. M. Fedeyko, K. Sawant, D. Kragten, D. G. Vlachos and R. F. Lobo, The Structure of Subcolloidal Zeolite Nanoparticle Precursors, Stud. Surf. Sci. Cat. 154, 1267-1273 (2004).
M. Gummalla, M. Tsapatsis, J. J. Watkins and D. G. Vlachos, Multiscale hybrid modeling of film deposition within porous substrates, AIChE Journal 50(3), 684-695 (2004).
M. I. Lebedeva, D. G. Vlachos and M. Tsapatsis, Bifurcation analysis of Liesegang ring pattern formation, Physical Review Letters 92(8), 0883011-0883014 (2004).
M. I. Lebedeva, D. G. Vlachos and M. Tsapatsis, Pattern formation in porous media via the Liesegang ring mechanism, Ind. Eng. Chem. Res. 43, 3073-3084 (2004).
J. Ludwig and D. G. Vlachos, First principles modeling of dissociative adsorption at crystal surfaces: Hydrogen on Pt(111), Mol. Sim. 30(11-12), 765-771 (2004).
B. Mhadeshwar, J. R. Kitchin, M. A. Barteau and D. G. Vlachos, The role of adsorbate-adsorbate interactions in the rate controlling step and most abundant reaction intermediate of NH3 decomposition on Ru, Cat. Letters 96(1-2), 13-22 (2004).
B. Mhadeshwar and D. G. Vlachos, Microkinetic modeling for water-promoted CO oxidation, water-gas shift, and preferential oxidation of CO on Pt, Journal of Physical Chemistry B 108, 15246-15258 (2004).
D. G. Norton and D. G. Vlachos, A CFD study for propane/air microflame stability, Combustion and Flame 138, 97–107 (2004).
D. G. Norton, E. D. Wetzel and D. G. Vlachos, Fabrication of single-channel catalytic microburners: Effect of confinement on the oxidation of hydrogen/air mixtures, Ind. Eng. Chem. Res. 43(16), 4833-4840 (2004).
M. A. Snyder, Z. Lai, M. Tsapatsis and D. G. Vlachos, Combining simultaneous reflectance and fluorescence imaging with SEM for conclusive identification of polycrystalline features of MFI membranes, Microporous and Mesoporous Materials 76(1-3), 29-33 (2004).
M. A. Snyder and D. G. Vlachos, Development of thermodynamically consistent, experiment-based molecular models of diffusion through thin microporous membranes, Studies in Surface Science and Catalysis 154(Part A-C), 2062-2069 (2004).
M. A. Snyder and D. G. Vlachos, Rational, hierarchical parameterization of complex zeolite-guest molecular models, Mol. Sim. 30(9), 561-577 (2004).
P. Aghalayam, Y. K. Park, N. E. Fernandes, V. Papavassiliou, A. B. Mhadeshwar and D. G. Vlachos, A C1 mechanism for methane oxidation on platinum, Journal of Catalysis 213, 23-38 (2003).
M. Bhattacharya, D. G. Vlachos and M. Tsapatsis, Periodic patterning in materials deposition by self-regulating diffusion-reaction processes, Appl. Phys. Letters 82(19), 3357-3359 (2003).
M. Gummalla, M. Tsapatsis, J. J. Watkins and D. G. Vlachos, The roles of transients and nucleation in film deposition within a support, Ind. Eng. Chem. Res. 42, 1321-1328 (2003).
M. Katsoulakis, A. J. Majda and D. G. Vlachos, Coarse-grained stochastic processes for microscopic lattice systems, Proc. Natl. Acad. Sci. 100(3), 782-787 (2003).
M. A. Katsoulakis, A. J. Majda and D. G. Vlachos, Coarse-grained stochastic processes and Monte Carlo simulations in lattice systems, J. Comp. Phys. 186, 250-278 (2003).
M. A. Katsoulakis and D. G. Vlachos, Coarse-grained stochastic processes and kinetic Monte Carlo simulators for the diffusion of interacting particles, J. Chem. Phys. 119(18), 9412-9428 (2003).
D. D. Kragten, J. M. Fedeyko, K. R. Sawant, J. D. Rimer, D. G. Vlachos, R. F. Lobo and M. Tsapatsis, The structure of the silica phase extracted from silica/TPAOH solutions containing nanoparticles, Journal of Physical Chemistry B 107, 10006-10016 (2003).
Z. Lai, G. Bonilla, I. Diaz-Carretero, K. Sujaoti, M. A. Amat, E. Kokkoli, O. Terasaki, R. W. Thompson, M. Tsapatsis and D. G. Vlachos, Microstructural optimization of a zeolite membrane for organic vapor separation, Science 300, 456-460 (2003).
B. Mhadeshwar, P. Aghalayam, V. Papavassiliou and D. G. Vlachos, Surface reaction mechanism development for platinum catalyzed oxidation of methane, Proc. Combust. Inst. 29, 997-1004 (2003).
B. Mhadeshwar, H. Wang and D. G. Vlachos, Thermodynamic consistency in microkinetic development of surface reaction mechanisms, Journal of Physical Chemistry B 107, 12721-12733 (2003).
V. Nikolakis, M. Tsapatsis and D. G. Vlachos, Physicochemical characterization of silicalite-1 surface and its implications on crystal growth, Langmuir 19, 4619-4626 (2003).
D. G. Norton and D. G. Vlachos, Combustion characteristics and flame stability at the microscale: A CFD study of premixed methane/air mixtures, Chemical Engineering Science 58, 4871-4882 (2003).
S. Raimondeau, P. Aghalayam, A. B. Mhadeshwar and D. G. Vlachos, Parameter optimization in molecular models: Application to surface kinetics, Ind. Eng. Chem. Res. 42, 1174-1183 (2003).
S. Raimondeau, D. G. Norton, D. G. Vlachos and R. I. Masel, Modeling of high temperature microburners, Proc. Combust. Inst. 29, 901-907 (2003).
S. Raimondeau and D. G. Vlachos, Front propagation at low temperatures and multiscale modeling for the catalytic combustion of H2 on Pt, Chemical Engineering Science 58, 657-663 (2003).
M. A. Snyder, D. G. Vlachos and M. A. Katsoulakis, Mesoscopic modeling of transport and reaction in microporous crystalline membranes, Chemical Engineering Science 58, 895-901 (2003).