Coal chemical-looping gasification process design method based on multi-scale modeling and application thereof

A technology of process design and chemical chain, applied in the direction of design optimization/simulation, computer-aided design, special data processing applications, etc., can solve problems such as simulation, inability to conduct dynamic research, and inability to meet the requirements of industrial synthesis gas production, so as to meet the requirements of production required effect

Active Publication Date: 2021-03-12
QINGDAO UNIV OF SCI & TECH
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Problems solved by technology

[0005] However, the process of CP and CLG is complicated. In the simulation process, the complexity of the processing objects directly affects the parameter selection, difficulty and simulation results in the modeling process.
The inventors found that although the prior art has public CP and CLG modeling methods, the modeling analysis of a single scale (only simulating the CP process or only simulating the CLG process) cannot study the CP and CLG process parameters in the CP-CLG complete process interaction
However, using one modeling concept to simulate the parameter selection of the complete process of CP-CLG, because there is no simulation for the different characteristics and key parameters of the CP and CLG reaction process, it is impossible to take into account the different characteristics of the CP and CLG process, so only one model is used. The selection of process parameters of the CP-CLG constructed by the model concept needs to be improved, and the stability of the reaction product needs to be improved
[0006] There are also some modeling methods that deal with ideal objects, which have large deviations from the coal configuration and reaction process in the actual production process. Some focus on the study of carbon black yield, and cannot take into account the quality of syngas. Large, but the idealization of the processing object leads to the lack of actual reference, and the dynamic research cannot be carried out, so it cannot meet the production requirements of industrial syngas

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  • Coal chemical-looping gasification process design method based on multi-scale modeling and application thereof
  • Coal chemical-looping gasification process design method based on multi-scale modeling and application thereof
  • Coal chemical-looping gasification process design method based on multi-scale modeling and application thereof

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Embodiment 1

[0062] A clean production process design of coal chemical looping gasification based on multi-scale modeling and control, the establishment of the CP-CLG system, the specific steps are as follows:

[0063] (1) The coal model was established and the global energy optimization was carried out, and the mechanism of CP was analyzed by ReaxFF-MD simulation, and the optimal CP temperature was obtained by analyzing the number of fragments.

[0064] Firstly, the structural unit of coal is established to represent the molecular skeleton. The coal molecular building blocks are then hydrogenated with tunable hydrogen to obtain a reasonable initial configuration. Finally, with the energy as the objective function, molecular mechanics simulation was performed on the initial configuration to optimize its geometric structure. The specific parameters are as follows: the task type is geometric optimization, the optimization quality is medium, and the energy optimization method is intelligent....

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Abstract

The invention relates to the field of clean production, in particular to a coal chemical-looping gasification process design method based on multi-scale modeling and application thereof. The method comprises steps of establishing a coal model and carrying out global energy optimization, carrying out mechanism analysis on CP by adopting ReaxFF-MD simulation, and obtaining an optimal CP temperatureby analyzing the number of fragments; simulating a CLG process by adopting CFD, modeling a fuel reactor, and determining the type and the optimal residence time of an oxygen carrier; based on CP mechanism analysis and CLG hydrodynamic simulation results, conducting steady-state simulation on the CPCLG system, and obtaining key parameters influencing synthesis gas production through sensitivity analysis. High-purity synthesis gas is obtained through multi-scale modeling, comprehensive optimization of various properties of clean production is considered, clean production, low energy consumption,high productivity and multi-reactor dynamic stability can be achieved at the same time, and process safety is guaranteed.

Description

technical field [0001] The invention relates to the field of clean production, in particular to a method for designing a coal chemical looping gasification process based on multi-scale modeling and its application. Background technique [0002] The information disclosed in this background section is only intended to increase the understanding of the general background of the present invention, and is not necessarily taken as an acknowledgment or any form of suggestion that the information constitutes the prior art already known to those skilled in the art. [0003] Coal is one of the dominant fossil fuels in my country's energy structure. However, the traditional coal utilization technology has low energy efficiency and serious pollution problems. Therefore, clean coal technology has become the focus of research and development in recent years. The coal pyrolysis process (CP) is a cleaner way of converting coal to produce high value-added pyrolysis gas, coke and tar. Chem...

Claims

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Application Information

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IPC IPC(8): G06F30/20G06F30/28G06F119/08
CPCG06F30/28G06F30/20G06F2119/08
Inventor 田文德崔哲孙素莉刘彬
Owner QINGDAO UNIV OF SCI & TECH
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