In this research,molecular structure models were developed respectively for Shenhua coal vitrinite concentrates(SDV)and inertinite concentrates(SDI),on the basis of information on constitutional unit of Shenhau coal a...In this research,molecular structure models were developed respectively for Shenhua coal vitrinite concentrates(SDV)and inertinite concentrates(SDI),on the basis of information on constitutional unit of Shenhau coal and elemental analysis results obtained from^(13)C-NMR analysis characterization,FTIR analysis characterization,X-ray diffraction XRD and XPS analysis characterization.It can be observed from characterization data and molecular structure models that the structure of SDV and SDI is dominated by aromatic hydrocarbon,with aromaticity of SDI higher than that of SDV;SDV mainly consists of small molecule basic structure unit,while SDI is largely made from macromolecular structure unit.Based on bond-level parameters of the molecular model,the research found through the autoclave experiment that vitrinite liquefaction process goes under thermodynamics control and inertinite liquefaction process under dynamics control.The research developed an efficient directional direct coal liquefaction technology based on the maceral characteristics of Shenhua coal,which can effectively improve oil yield and lower gas yield.展开更多
为研究神华煤和神华煤直接液化残渣的热解过程,对神华煤和神华煤直接液化残渣在不同的升温速率下进行了热重分析。根据不同升温速率的热解试验结果,采用分布活化能模型（Dis-tributed Activation Energy Model,DAEM）对神华煤和残渣的...为研究神华煤和神华煤直接液化残渣的热解过程,对神华煤和神华煤直接液化残渣在不同的升温速率下进行了热重分析。根据不同升温速率的热解试验结果,采用分布活化能模型（Dis-tributed Activation Energy Model,DAEM）对神华煤和残渣的热解动力学进行了分析,得到了热解动力学参数活化能和反应速率常数。研究表明：神华煤热解的活化能为53.98-279.38 kJ/mol;神华煤直接液化残渣热解活化能约为170 kJ/mol。对神华煤和残渣热解失重率随温度变化的试验曲线和模拟计算所得曲线进行比较,发现神华煤和神华煤直接液化残渣的试验曲线和模拟曲线重合较好,说明DAEM模型能够较准确地描述神华煤和神华煤直接液化残渣的热解过程。展开更多
基金Supported by the National Engineering Labo-ratory of Direct Coal Liquefaction(MZY-16).
文摘In this research,molecular structure models were developed respectively for Shenhua coal vitrinite concentrates(SDV)and inertinite concentrates(SDI),on the basis of information on constitutional unit of Shenhau coal and elemental analysis results obtained from^(13)C-NMR analysis characterization,FTIR analysis characterization,X-ray diffraction XRD and XPS analysis characterization.It can be observed from characterization data and molecular structure models that the structure of SDV and SDI is dominated by aromatic hydrocarbon,with aromaticity of SDI higher than that of SDV;SDV mainly consists of small molecule basic structure unit,while SDI is largely made from macromolecular structure unit.Based on bond-level parameters of the molecular model,the research found through the autoclave experiment that vitrinite liquefaction process goes under thermodynamics control and inertinite liquefaction process under dynamics control.The research developed an efficient directional direct coal liquefaction technology based on the maceral characteristics of Shenhua coal,which can effectively improve oil yield and lower gas yield.
