低品质煤大规模提质利用的基础研究

Basic Research of Large-scale Quality Improvement and Utilization of Low-quality Coal

该研究主要开展了以下工作:(1)完成了我国典型低品质煤的基本指标分析,初步查明典型低品质煤中主要成灰矿物、硫和水的赋存特征;初步阐明表面含氧官能团和孔隙结构。(2)建立了热压褐煤脱水系统平台、热水提质褐煤装置,CO2超临界萃取仪,建立了热烟气(氮气)干燥褐煤的实验装置。原理工大学建立了提质褐煤复吸实验平台。在曙光5000A,IBMPOWER755、DELL,宝德等高性能高服务器上,利用GAUSSIAN09、ADF、MS5.5、VASP、SIESTA等计算软件,建立了构建褐煤脱水的计算模拟平台。(3)建立了电磁特性分析测试平台;通过全组分分离、索式萃取分离、XPS、GC/MS等分析方法和手段认知了炼焦煤表面结构及有机硫的分布特征;利用电磁特性测试系统获取了新峪炼焦煤样在不同频率下的复介电常数;初步认知微波脱硫的最佳频段;采用Materials Studio 6.0软件中的DMol3模块对苯并噻吩和四六二甲基苯并噻吩的结构和性质进行理论研究。

Since the project was officially launched, the team conduct a large number of studies, combine with expert advice, thus further clarify the research focus, adjust and improve the scheme. As the project goes, constantly and timely adjusting experimental scheme; refine the research process. After the first year of the project construction, improve the research content, form clear research objectives and laid a solid foundation for the project to conduct smoothly and orderly.（1）The team completes the basic indicator analysis of typical low-quality coal, preliminarily discover how the principal forming-ash minerals/sulfur/moisture of the typical low-quality coal exist and clarify surface oxygen functional groups and pore structure.（2）The team establishes a lignite-dewatering system under pressure and high temperature, lignite-upgrading unit through hot water,CO2 supercritical extractor, and lignite-drying in hot flue gas （nitrogen） lab facilities. Taiyuan University of Technology establishes lignite-upgrading relapse experimental platform. we build calculating simulation platform of lignite dehydration based on high performance servers like dawn 5000A, IBMPOWER755、DELL、BAODE etc. and calculation software like GAUSSIAN09、ADF、MS5.5、VASP,SIESTA.（3）The team establishes a platform for testing electromagnetic characteristics. Through its wholly-component separation, Soxhlet extraction, XPS, GC / MS and other methods, we discover the surface structure and distribution of organic sulfur of the coking coal. Obtain the complex permittivity of coking coal samples from Xinyu at different frequencies using electromagnetic characteristics-testing system. Preliminarily discover optimal microwave band for desulfurization, research theoretically the structure and properties of benzothiophene and four- six two methylbenzothiophene using the DMol3 module in Materials Studio 6.0 software. In summary, from January 1, 2012 to October 31, 2012, 83 people participate the project, 1 monograph and 51 papers including 18 SCI and 11 EI and 1are published. 10 important academic conference Plenary Lectures are given. The team apply for 15 invention patents, two are authorized, and train 9 doctors and 21 masters in total.