高效协同气化数据集

于2020.01-2022.12在东南大学能源与环境学院热能所完成相关工作。（1）通过计算化学与原位、在线实验等手段，研究组份间协同反应机理。通过Py-GC-MS，TG-MS，TG-FTIR 结合漫反射、透过式原位反应池，研究不同反应温度、压力、反应气氛下不同掺混比例有机固废组份的产物分布特性，通过在线质谱收集并分析协同反应的中间产物；通过量子化学模拟和分子动力学模拟，解析关键中间产物和最终产物的反应路径，搭建有机固废协同反应网络。（2）在研究内容（1）的基础上，通过实验室小型气化床，结合目标产物（高热值气/富氢合成气），通过协同调控有机固废原料配比（不同热值、挥发分、C/H 比等）和气化工况（温度、气化介质等），实现协同反应条件下产物调控。

This work was completed at the Institute of Thermal Energy, School of Energy and Environment, Southeast University from January 2020 to December 2022.
(1) The synergistic reaction mechanism among components was studied using computational chemistry, in-situ and on-line experimental approaches. Specifically, Py-GC-MS, TG-MS and TG-FTIR, combined with diffuse reflection and transmission-type in-situ reaction cells, were utilized to examine the product distribution characteristics of organic solid waste components with distinct mixing ratios under varied reaction temperatures, pressures and reaction atmospheres. On-line mass spectrometry was applied to collect and analyze the intermediate products generated during the synergistic reaction. Additionally, quantum chemistry simulations and molecular dynamics simulations were conducted to elucidate the reaction pathways of key intermediate and final products, and construct the synergistic reaction network for organic solid wastes.
(2) Based on the research outlined in (1), by employing a bench-scale laboratory gasifier and targeting the desired products (high-calorific value gas/hydrogen-rich syngas), the product regulation under synergistic reaction conditions was realized via coordinately adjusting the mixing ratio of organic solid waste raw materials (with different calorific values, volatile contents, C/H ratios, etc.) and gasification operating parameters (such as temperature, gasification medium, etc.).

搜集汇总

背景与挑战

背景概述

该数据集基于东南大学在2020年至2022年完成的研究，通过计算化学和原位实验手段，探究有机固废组份的协同气化反应机理与产物分布特性。研究旨在通过调控原料配比和气化条件，实现高热值气或富氢合成气的目标产物，属于工程热物理学科领域。