thermodynamic restrictions and simultaneous effects of operational conditions on the homogeneous rhodium-catalyzed carbonylation of methanol are studied in this line of research. it is shown that the general nrtl-virial model can be appropriated to study thermodynamics of the carbonylation. it is obtained that the reaction is kinetically and thermodynamically reasonable at temperatures above 42...

Real-life multiphase flows exhibit a number of complex and visually appealing behaviors, involving bubbling, wetting, splashing, glugging. However, most state-of-the-art simulation techniques in graphics can only demonstrate limited range flow phenomena, due to their inability handle the real water-air density ratio large amount numerical viscosity introduced its coupling with interface. Recent...

In this study simulation and optimization of an industrial acetylene hydrogenation reactor was studied. Three well known kinetic models were used for a nearly similar catalyst to predict the industrial data. Due to the complexity of the reactions, none of the offered kinetic models could be considered as an exact kinetic model and it is necessary to determine the kinetic parameters. One of the ...

A principal technical objective is to simulate and understand the behavior of Lagrangian drifters and floats in the presence of deep convection in the Labrador Sea. The corollary scientific objective for the Labrador Sea DeepConvection ARI is to understand the production, transport and dissipation of TKE and scalar variances (potential temperature and salinity); and the production and transport...

We present a hybrid method for simulating epitaxial growth that combines kinetic Monte-Carlo (KMC) simulations with the Burton–Cabrera–Frank model for crystal growth. This involves partitioning the computational domain into KMC regions and regions where we time-step a discretized diffusion equation. Computational speed and accuracy are discussed. We find that the method is significantly faster ...