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Authors: Spivak S., Gubaydullin I., Koledin S., Koledina K.     Published in № 1(67) 27 february 2017 year
Rubric: Automated control systems

The information-analytical system of theoretical computing optimization of catalytic processes

In the first stage of determining the optimal mode is necessary to conduct a theoretical optimization process, i.e. to find the best values of the control parameters, without asking their feasibility. The paper shows the formulation of optimization criterion in terms of economic efficiency. Theoretical optimization of the catalytic process can be based on a kinetic model of the chemical reaction. The concept of information-analytical system of theoretical computational optimization of catalytic processes determined by the methodology IDEF0. Thus, the input parameters are: reaction mechanism, the experimental data and some physical and chemical limitations which characterize the specificity of the process — these options are needed to build a kinetic model of the reaction, as well as the optimization criterion required for optimization problem formulation. The result (output) of solving the problem is an improved process, the formulation of optimal process conditions. Management is the methods used in solving the problem. And as a mechanism performs data-processing system is theoretical, analytical optimization of catalytic processes. As the object of optimizing is catalytic process of interaction alcohols with dimethyl carbonate, which refers to the reactions of the «green» chemistry. A mathematical model of chemical kinetics is a system of nonlinear ordinary differential equations with initial data, ie, the Cauchy problem. For this reaction was build kinetic model, determined the rate constants and activation energies. As the economic optimization criterion chosen process profitability. For the calculations took the relative values of the cost of reagents and energy of the total flow. Changing of profitability used in the case when the costs considered of reagents and energy. It was determined that the profitability out to the maximum, and decreases with time, due to the cost of maintaining the desired temperature. With increasing temperature, the maximum profitability comes first. Moreover, increasing the catalyst concentration to 0.05 mol/l does not increase the profitability. Then, the optimal value of the catalyst is 0.03 mol/l.

Key words

information and computer analysis system, the theoretical optimization, profitability, dimethyl carbonate, kinetic model.

The author:

Spivak S.

Degree:

Dr of Physics & Mathematics, Professor, Ufa State Petroleum Technological University, Bashkir State University

Location:

Ufa

The author:

Gubaydullin I.

Degree:

Dr of Physics & Mathematics, Associate Professor, Ufa State Petroleum Technological University, Institute of Petrochemistry and Catalysis of RAS

Location:

Ufa

The author:

Koledin S.

Degree:

Postgraduate, Ufa State Petroleum Technological University, Institute of Petrochemistry and Catalysis of RAS

Location:

Ufa

The author:

Koledina K.

Degree:

PhD in Physics & Mathematics, Ufa State Petroleum Technological University, Institute of Petrochemistry and Catalysis of RAS

Location:

Ufa