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DownloadsReaction rate calculation and unit conversionA pdf summary of our methodology calculating reaction rates as well as converting units in our reaction engineering research. Stochastic Simulation SoftwareWe have available a windows executable for performing accelerated stochastic simulations. This software can perform the stochastic simulation algorithm (SSA), the binomial t-leap and the Poisson t-leap simulations for a well-mixed reacting system. EGFR induced MAP kinase cascade input files can be downloaded here. A MATLAB file is provided here that generates the necessary input files for use with the executable software. This makes the reaction mechanism input relatively format free and automatic, i.e., one can bypass most of the SOFTWARE MANUAL explanations and instructions given below. The reaction system needs to be specified by the user in readable form. See sample for reaction formulae to be entered here. Help for the MATLAB file is provided within the file. Help for binomial t-leap is given below. Microkinetic model for methane activation to syngas on Rh (PFR with detailed surface kinetics)Here, you can download the software information and related files. |
Recent Publications
J. A. Federici and D. G. Vlachos (2008) "A computational fluid dynamics study of propane/air microflame stability in a heat recirculation reactor" Combustion and Flame 153(1-2), 258-269.
N. S. Kaisare, S. R. Deshmukh and D. G. Vlachos (2008) "Stability and performance of catalytic microreactors: Simulations of propane catalytic combustion on Pt" Chemical Engineering Science 63(4), 1098-1116.
A. M. Karim, J. A. Federici and D. G. Vlachos (2008) "Portable power production from methanol in an integrated thermoeletric/microreactor system" Journal of Power Sources 179(1), 113-120.
M. Maestri, A. Beretta, T. Faravelli, G. Groppi, E. Tronconi and D. G. Vlachos (2008) "Two-dimensional detailed modeling of fuel-rich H-2 combustion over Rh/Al2O3 catalyst" Chemical Engineering Science 63(10), 2657-2669.
Snyder, D. G. Vlachos and V. Nikolakis (2007) "Quantitative analysis of membrane morphology, microstructure, and polycrystallinity via laser scanning confocal microscopy: Application to NaX zeolite membranes" Journal of Membrane Science 290(1-2), 1-18.S. Caratzoulas and D. G. Vlachos (2008) "Molecular dynamics study of the stabilization of the silica hexamer Si6O156- in aqueous and methanolic solutions" Journal of Physical Chemistry B 112(1), 7-10.
G. Mpourmpakis and D. G. Vlachos (2008) "Insights into the early stages of metal nanoparticle formation via first-principle calculations: the roles of citrate and water" Langmuir 24(14), 7465-7473.
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