In this paper, the modeling of a dynamic chemical engineering process is presented in a highly understandable way using a unique combination of the simplified fundamental theory and direct hands-on computer simulation. The main aim is to use them for analysis, optimise and adaptive control of behavior of dynamical system, especially of a given chemical reactor. A non-linear mathematical model i...

A hybrid neural network model based on-line re-optimization control strategy is developed for a batch polymerization reactor. To address the difficulties in batch polymerization reactor modeling, the hybrid neural network model contains a simplified mechanistic model covering material balance assuming perfect temperature control, and recurrent neural networks modeling the residuals of the simpl...

Exergy analysis and response surface methodology (RSM) is applied to reduce the exergy loss and improve energy and exergy efficiency of acetic acid production plant. Exergy analysis is run as a thermodynamic tool to assess exergy loss in reactor and towers of acetic acid production process. The process is simulated in Aspen Plus(v.8.4) simulator and the necessary thermodynamics data for calcula...

We describe a sample-processing micro-reactor that utilizes 60 GHz RF radiation with approximately 730 mW of output power. The instrument design and performance characterization are described and then illustrated with modeling and experimental studies. The micro-reactor's efficiency on affecting hydrolysis of chemical bonds similar to those within large complex molecules was demonstrated: a dis...

The coupling of reactions in catalytic membrane reactors provides novel reactor configurations that allow shifting the thermodynamic equilibrium and yields of thermodynamically limited reactions and enhancing significantly the rate of production. An interesting pair to couple is the dehydrogenation of ethylbenzene to styrene and the hydrogenation of nitrobenzene to aniline. Hydrogen produced in...

A steady-state cross-flow reactor for ethylene epoxidation was simulated using industrial data (low oxygen/ethylene feed ratio) and pilot plant data (high oxygen/ethylene feed ratio). A comparison between the conventional fixed-bed reactor and the cross-flow reactor with two types of feeding modes was performed. The present study showed the possibility of enhancing the reactor yield by distribu...

Multiscale modelling as an emerging modelling paradigm is now widely regarded as a promising and powerful tool in various disciplines. However, a multiscale model is usually much more difficult to develop than a single-scale model due to a range of challenges. This work presents a methodology to facilitate the development of multiscale models, which comprises three main modelling steps, namely ...

Multiscale modelling is now widely regarded as a promising and powerful tool in various disciplines, including the broad area of process engineering. However, a multiscale model is usually much more difficult to develop than a single-scale model due to a range of conceptual, numerical, and software challenges. Currently, there is little support developed to facilitate multiscale modelling. This...

A silicon differential microchemical reactor that utilizes a novel crossflow geometry has been developed for the testing of porous supported catalysts. The cross-flow design reduces pressure drop by using a shallow but wide catalyst bed. Modeling, flow visualization, and pressure drop studies confirm even flow distribution across the reactor. Kinetic experiments with the oxidation of carbon mon...

The gas phase dynamics of an inverted, stagnation point flow CVD reactor were studied by both experiment and modeling. The axial centerline temperature profile in the reactor was measured by analysis of the rotational Raman spectra from the carrier gas (N or H ) as a function of the inlet flow velocity and the reactor aspect ratio. It was found that a larger temperature gradient 2 2 normal to t...