Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4

Chemical reactions Related Publications

4 Modeling Aggregation of Insoluble Phase in Reactors

Authors: A. Brener, B. Ismailov, G. Berdalieva

Abstract:

In the paper we submit the modification of kinetic Smoluchowski equation for binary aggregation applying to systems with chemical reactions of first and second orders in which the main product is insoluble. The goal of this work is to create theoretical foundation and engineering procedures for calculating the chemical apparatuses in the conditions of joint course of chemical reactions and processes of aggregation of insoluble dispersed phases which are formed in working zones of the reactor.

Keywords: Clusters, Chemical reactions, binary aggregation, insoluble phases

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3 Hydrodynamic Processes in Bubbly Liquid Flow in Tubes and Nozzles

Authors: Raisa Kh. Bolotnova, Marat N. Galimzianov, Andrey S. Topolnikov, Valeria A. Buzina, Uliana O. Agisheva

Abstract:

The hydrodynamic processes in bubbly liquid flowing in tubes and nozzles are studied theoretically and numerically. The principal regularities of non-stationary processes of boiling liquid outflow are established under conditions of experiments when the depressurization of a tube with high pressure inside occurs. The steady-state solution of bubbly liquid flow in the nozzle of round cross section with high pressure and temperature conditions inside bubbles is studied accounting for phase transition and chemical reactions.

Keywords: cavitation, Chemical reactions, bubbly liquid, phase transition

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2 Development of a Simulator for Explaining Organic Chemical Reactions Based on Qualitative Process Theory

Authors: Alicia Y. C. Tang, Sharifuddin M. Zain, Rukaini Hj. Abdullah

Abstract:

This paper discusses the development of a qualitative simulator (abbreviated QRiOM) for predicting the behaviour of organic chemical reactions. The simulation technique is based on the qualitative process theory (QPT) ontology. The modelling constructs of QPT embody notions of causality which can be used to explain the behaviour of a chemical system. The major theme of this work is that, in a qualitative simulation environment, students are able to articulate his/her knowledge through the inspection of explanations generated by software. The implementation languages are Java and Prolog. The software produces explanation in various forms that stresses on the causal theories in the chemical system which can be effectively used to support learning.

Keywords: Simulation, Chemical reactions, Explanation, qualitative processtheory

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1 Simulation of a Multi-Component Transport Model for the Chemical Reaction of a CVD-Process

Authors: J. Geiser, R. Röhle

Abstract:

In this paper we present discretization and decomposition methods for a multi-component transport model of a chemical vapor deposition (CVD) process. CVD processes are used to manufacture deposition layers or bulk materials. In our transport model we simulate the deposition of thin layers. The microscopic model is based on the heavy particles, which are derived by approximately solving a linearized multicomponent Boltzmann equation. For the drift-process of the particles we propose diffusionreaction equations as well as for the effects of heat conduction. We concentrate on solving the diffusion-reaction equation with analytical and numerical methods. For the chemical processes, modelled with reaction equations, we propose decomposition methods and decouple the multi-component models to simpler systems of differential equations. In the numerical experiments we present the computational results of our proposed models.

Keywords: Chemical reactions, chemical vapor deposition, Convection-diffusion-reaction equations, decomposition methods, multi-component transport

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