Establishing method of dynamic model of liquid phase catalytic paraxylene oxidizing reaction

Abstract

The establishing method of dynamic model of liquid phase catalytic paraxylene oxidizing reaction comprises utilizing the reaction temperature x1 and mixed material composition including solvent ratiox2, Co catalyst concentration x3, Mr catalyst concentration x4, and Br promoter concentration x5 and the rate constant nerve net model to find out the rate constants ki, where i=1,2,3 and 4, of the steps in reaction network of industrial liquid phase catalytic paraxylene oxidizing reaction, and to find out the contents of PX, TALD, PT acid, 4-CBA, TA and other intermediate products and estimate products. The rate constant model can describe the effects of different factors on the reaction in the industrial reactor.

Description

1. Technical field [0001] The invention belongs to the field of chemical reaction engineering, and relates to a liquid-phase catalytic oxidation reaction kinetic model of p-xylene (hereinafter referred to as PX, namely P-xylene) in purified terephthalic acid (hereinafter referred to as PTA, namely Pure Terephthalic Acid) by using an AMOCO process Established modeling techniques. 2. Background technology [0002] Kinetic research is the basis for process and engineering technology development. The task of kinetic research is to quantitatively understand the influence of temperature, concentration, catalyst and other conditions on the reaction process by examining the chemical characteristics of the reaction process, understand its laws and mechanisms, and establish a kinetic model, so as to provide a basis for the design and production operation of industrial reactors. Therefore, it is of great significance to establish a kinetic model that can accurately describe the reacti...

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Problems solved by technology

due to f 1j (x j ), j=1, 2, 3, 4, 5 are obtained by keeping the other 4 factors at a certain level, and the complexity of the impact of each influencing factor on the response, there is an interaction between each factor, f 1j (x j ), j=1, 2, 3, 4, 5 functions are difficult, or even impossible to describe, keep the other 4 factors at different levels, the rate constant k 1 with x j The change relationship, so get f i (·) The function deviation is large

[0010] At the same time, the industrial reactor in the AMOCO process is a continuous stirred tank reactor. There is a certain difference between the semi-continuous gas-liquid reactor experiment in the laboratory and the reactor actually operated in the industry. Therefore, the experimental observation of the semi-continuous gas-liquid reactor in the laboratory Kinetic models obtained from the obtained data are difficult to accurately describe the operation of industrial reactors

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