Synthetic path automatic generation method based on recursion decomposition of chemical production problem

Abstract

The invention relates to a synthetic path automatic generation method based on the recursion decomposition of a chemical production problem. According to the invention, a solvable judgment device of asynthetic process is designed on the basis of a recursion function. Whether a target product can be generated through a series of chemical synthesis processes or not is judged under the limitation ofcurrent raw materials and reactions. In this way, a synthetic process decomposition device is designed. The synthetic process of the target product is decomposed, and all possible synthesis paths areautomatically generated. According to the method, the defects respectively existing in the existing logic center method and the information center method are overcome. According to the recursion traversing algorithm, the types and the number limit of raw materials in the actual production condition are considered, and a unified formal expression method is designed. The method can be better applied to actual chemical production of different conditions. All decomposition schemes can be obtained after the judgment on whether the decomposition is enabled or not is made. Therefore, the selection work of the follow-up path can be better realized.

Description

technical field [0001] The invention relates to the field of computer software systems, in particular to a method for automatically generating synthesis paths in chemical production problems based on recursive decomposition. Background technique [0002] The comprehensive problem of chemical process is a marginal interdisciplinary subject. Starting from the overall goal of the process system, according to the particularity and interrelationship of the internal reform components of the system, determine the optimal strategy of the production process in terms of planning, design, control and management. . The main research object is the chemical production system that converts raw materials into products, mainly including chemical, oil refining, synthetic fiber, plastic, metallurgy, pharmaceutical, food and other process industries. Since the 20th century, the process industry has been greatly developed, but the problems of environmental pollution, process safety and sustaina...

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Problems solved by technology

Since the 20th century, the process industry has been greatly developed, but the problems of environmental pollution, process safety and sustainability still need to be solved urgently

However, the existing method mainly has the following problems: 1. It does not proceed from the limitation of the type and quantity of raw materials in the actual production situation, but there are many restrictions in the chemical production process, so it is necessary to judge whether the task is under the current raw material and production process conditions. whether it can be completed

2. Most of them are proposed for a specific application, suitable for a specific environment, and have poor versatility

3. We usually focus on the choice of chemical reaction paths, and cannot obtain all possible decomposition schemes. However, in the chemical production process, there may be a large gap in economic and environmental benefits between different reaction paths, and different paths need to be analyzed. Compare

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