中深层油页岩原位高效热解机理数据集

项目立足于我国能源战略需求，聚焦油页岩原位开采化学反应机理，主要开展了不同类型油页岩干酪根化学结构、油页岩干酪根热解反应机理、油页岩原位热解反应动力学及油页岩原位热解油气产物析出规律等研究，基于油页岩高温高压原位热解实验、ReaxFF分子动力学模拟、以及热分析动力学方法等实验手段，主要记录了不同类型油页岩干酪根的分子骨架信息及结构模型，油页岩水蒸气及氮气气氛原位热解产物饱和烃和半焦结构特性，不同工艺参数对油页岩原位热解产物组成、结构及性质的影响规律，油页岩原位热解不同转化率下的活化能变化规律及机理函数等数据，数据量为42.1MB。以上数据为明确油页岩干酪根原位注热开采反应机制及最佳工艺条件提供理论支撑。This project is rooted in China's national energy strategic demands, focusing on the chemical reaction mechanisms involved in in-situ oil shale extraction. It primarily carries out systematic studies on the chemical structures of different types of oil shale kerogens, the pyrolysis reaction mechanisms of oil shale kerogens, the in-situ pyrolysis reaction kinetics of oil shale, and the precipitation rules of oil and gas products during in-situ pyrolysis of oil shale. Utilizing experimental methods including high-temperature and high-pressure in-situ pyrolysis experiments of oil shale, ReaxFF molecular dynamics simulations, and thermoanalytical kinetic approaches, this dataset primarily documents data such as the molecular skeleton information and structural models of different types of oil shale kerogens, the structural characteristics of saturated hydrocarbons and semi-coke in the in-situ pyrolysis products of oil shale under water vapor and nitrogen atmospheres, the influence rules of various process parameters on the composition, structure and properties of in-situ pyrolysis products of oil shale, as well as the variation rules of activation energy and corresponding mechanism functions at different conversion rates during in-situ pyrolysis of oil shale. The total size of this dataset is 42.1 MB. This dataset provides theoretical support for clarifying the reaction mechanism of in-situ thermal injection mining of oil shale kerogens and identifying the optimal process conditions.

搜集汇总

背景与挑战

背景概述

该数据集聚焦于中深层油页岩原位热解机理，通过高温高压实验和分子动力学模拟等方法，记录了干酪根结构、热解产物特性及工艺参数影响等关键数据，数据量为42.1MB。这些数据为优化油页岩原位开采工艺提供了理论依据。