Auteur Dionisios G. Vlachos
Documents disponibles écrits par cet auteur (7)
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Li Yang, Auteur ; Stanley I. Sandler, Auteur ; Dionisios G. Vlachos, Auteur |Grand Canonical Monte Carlo (GCMC) simulation has been used to study the adsorption of methanol, glycerol, and their mixtures in the metal organic framework IRMOF-1, and canonical ensemble molecular dynamics simulation was used to study their di[...]
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Georgios D. Stefanidis, Auteur ; Dionisios G. Vlachos, Auteur |Operation strategies for controlling the extent of homogeneous chemistry in homogeneous−heterogeneous (HH) reactors were developed for a catalytic plate microreactor using a two-dimensional computational fluid dynamics model for propane combusti[...]
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Ying Chen, Auteur ; Dionisios G. Vlachos, Auteur |The activation barriers of elementary-like reactions pertaining to the oxidation and reforming of methane on Pt(111) and Pt(211) surfaces have been calculated using periodic density functional theory (DFT) calculations. We have investigated the [...]
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Nageswara Rao Peela, Auteur ; Ivan C. Lee, Auteur ; Dionisios G. Vlachos, Auteur |The effect of distributor and channel positions on flow uniformity in a high-throughput reactor is studied using a COMSOL MULTIPHYSICS, CFD package. The best design is subsequently fabricated and evaluated for propane total oxidation reaction at[...]
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Niket S. Kaisare, Auteur ; Georgios D. Stefanidis, Auteur ; Dionisios G. Vlachos, Auteur |A pseudo-2-dimensional model is used for modeling a multifunctional microreactor for hydrogen generation by coupling catalytic ammonia decomposition on ruthenium with catalytic propane combustion on platinum. The two reactions are carried out in[...]
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Vinay Prasad, Auteur ; Dionisios G. Vlachos, Auteur |Fundamental multiscale models are increasingly being used to describe complex systems. Microkinetic models, which consider a detailed surface reaction mechanism containing all relevant reactions, are a prototypical multiscale model example. The [...]
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Matthew S. Mettler, Auteur ; Georgios D. Stefanidis, Auteur ; Dionisios G. Vlachos, Auteur |Computational fluid dynamics (CFD) simulations are used to simulate stacks of different sizes, to understand nonlinear effects that arise in scaleout of microchemical systems. As an example process, syngas production from methane is studied usin[...]
