Monte carlo simulation method for forecasting free radical polymerization in microtube reactor

A Monte Carlo simulation, tubular reactor technology, applied in special data processing applications, instruments, electrical and digital data processing, etc. The effect of consuming time and cost

Inactive Publication Date: 2013-06-12
FUDAN UNIV
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  • Abstract
  • Description
  • Claims
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Problems solved by technology

But its heat dissipation effect is not good and there are "hot spots", so it can't control the violent exothermic reaction well

Method used

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  • Monte carlo simulation method for forecasting free radical polymerization in microtube reactor
  • Monte carlo simulation method for forecasting free radical polymerization in microtube reactor
  • Monte carlo simulation method for forecasting free radical polymerization in microtube reactor

Examples

Experimental program
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Embodiment 1

[0048] Figure 1 is a schematic diagram of the device of Example 1. Materials enter from 1 and exit from N. The length of material flowing in the tube is equal to the total length of the microtube.

[0049] Under the simulated temperature of 54℃, acrylonitrile (AN), itaconic acid (Itaconic acid) and methyl acrylate (MA) were radically terpolymerized in a microtubular reactor, and the solvent was 40% sodium thiocyanate aqueous solution.

[0050] The specific implementation steps are as follows:

[0051] (1) Determine all elementary reactions and diffusion reactions in the polymerization system,

[0052] A. Redox reaction produces two primary free radicals;

[0053] B. Addition of primary free radicals to acrylonitrile, itaconic acid, and methyl acrylate to generate acrylonitrile growth free radicals, itaconic acid growth free radicals, and methyl acrylate growth free radicals, a total of 3 elementary reactions;

[0054] C. Acrylonitrile growth free radicals, itaconic acid gr...

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Abstract

The invention relates to the technical field of high molecule polymerization, in particular to a monte carlo simulation method for forecasting free radical polymerization in a microtube reactor. The method comprises the steps of starting from elementary reaction of copolymerization, describing an overall process of raw materials such as a monomer and an initiating agent entering a microtube for reacting for some time and then flowing out, obtaining compositions of effluent products, variations of a polymerization degree of high molecule chains, sequence distribution and the like with time by a simulation method, investigating an influence of technological conditions of the microtube reactor on polymerization reaction, and obtaining an optimal charge rate. The method is simple, convenient and feasible.

Description

technical field [0001] The invention relates to the technical field of polymer polymerization, in particular to a Monte Carlo simulation method for predicting free radical copolymerization in a microtubular reactor. Background technique [0002] The round bottom flask is a classic chemical reaction vessel used to synthesize milligram to gram levels in synthetic chemistry. However, its heat dissipation effect is not good and there are "hot spots", so the violent exothermic reaction cannot be well controlled. [0003] Relative to round bottom flasks, the small size of microtubular reactors offers unique properties that cannot be achieved with conventional reaction vessels. For example, they can achieve very fast mixing of solutions because of the short diffusion paths. This in turn increases mass transfer efficiency and provides ideal conditions for fast kinetic reactions. In addition, compared with the traditional reactor 100~1000m 2 m -3 In contrast, this device has a v...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00
Inventor 郜泽慧何军坡张红东杨玉良
Owner FUDAN UNIV
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