Multiscale Modeling of Plastic Pyrolysis with a Neural Network-Inspired Pyrolysis Kinetic Model and Coarse-Grained DEM-CFD

Shen, Jiangfeng1,2,3; Dai, Jianjian1,2,3; Lin, Hairui4,5; Li, Sijie1,2,3; Gao, Shanshan1,2,6; Cheng, Youwei4,5; Patrascu, Michael3; Gao, Xi1,2,3

2024-07-01

10.1021/acs.iecr.4c01882

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH   影响因子和分区

0888-5885

1520-5045

To further understand pyrolysis kinetics and sand-plastic binary fluidization behavior in fluidized bed reactors, this study proposed a comprehensive mathematical model for investigating the complex multiphase reaction systems. A neural network-inspired pyrolysis kinetic model for high-density polyethylene (HDPE) was developed using experimental data obtained from a thermogravimetric analyzer (TGA) and Pyrolysis-GC-MS (Py-GC-MS) experiments. A coarse-grained discrete element method-computational fluid dynamics (DEM-CFD) fluidization model for sand-HDPE binary mixtures was developed and validated with fluidization experiments. Additionally, a multiscale model was developed for plastic pyrolysis in a fluidized bed reactor by integrating neural network-inspired kinetics, particle-scale model, and coarse-grained DEM-CFD simulations. The validated model was applied for the analysis of particle mixing and segregation, axial distribution and residence time, Lacey mixing index, and pyrolysis products. The findings of this study contribute to the experimental and theoretical foundations required for the design of fluidized bed reactors and the advancement of HDPE thermochemical conversion.

SCI ; EI

英语

其他

National Natural Science Foundation of China["21FAA02728","U23A20125"] ; GTIIT-Technion Seed Grant[KD2300042] ; Natural Science Foundation of Guangdong Province[2022A1515010763] ; Guangdong Provincial Science and Technology Innovation Strategy Special Fund[STKJ202209056]

Engineering

Engineering, Chemical

WOS:001263982600001

AMER CHEMICAL SOC

20242816676742

Binary mixtures ; Chemical reactors ; Coarse-grained modeling ; Fluid catalytic cracking ; Fluidization ; Fluidized bed furnaces ; Fluidized beds ; Kinetic parameters ; Kinetic theory ; Mixing ; Reaction kinetics ; Residence time distribution ; Supersaturation

Fluid Flow, General:631.1 ; Industrial Furnaces and Components:642.2 ; Physical Chemistry:801.4 ; Chemical Plants and Equipment:802.1 ; Chemical Reactions:802.2 ; Chemical Operations:802.3 ; Chemical Products Generally:804 ; Organic Polymers:815.1.1 ; Probability Theory:922.1 ; Classical Physics; Quantum Theory; Relativity:931 ; Atomic and Molecular Physics:931.3

CHEMISTRY

Web of Science

1.Guangdong Technion Israel Inst Technol, Dept Chem Engn, Shantou 515063, Peoples R China
2.Guangdong Technion Israel Inst Technol, MATEC Prov Key Lab, Shantou 515063, Peoples R China
3.Technion Israel Inst Technol, Wolfson Dept Chem Engn, IL-3200003 Hefa, Israel
4.Zhejiang Univ, Coll Chem & Biol Engn, Key Lab Biomass Chem Engn, Minist Educ, Hangzhou 310058, Peoples R China
5.Inst Zhejiang Univ Quzhou, Quzhou 324000, Zhejiang, Peoples R China
6.Southern Univ Sci & Technol, Dept Chem, Shenzhen 518055, Peoples R China

Shen, Jiangfeng,Dai, Jianjian,Lin, Hairui,et al. Multiscale Modeling of Plastic Pyrolysis with a Neural Network-Inspired Pyrolysis Kinetic Model and Coarse-Grained DEM-CFD[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2024,63:12688-12703.

Shen, Jiangfeng.,Dai, Jianjian.,Lin, Hairui.,Li, Sijie.,Gao, Shanshan.,...&Gao, Xi.(2024).Multiscale Modeling of Plastic Pyrolysis with a Neural Network-Inspired Pyrolysis Kinetic Model and Coarse-Grained DEM-CFD.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,63,12688-12703.

Shen, Jiangfeng,et al."Multiscale Modeling of Plastic Pyrolysis with a Neural Network-Inspired Pyrolysis Kinetic Model and Coarse-Grained DEM-CFD".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 63(2024):12688-12703.