煤基黄腐酸平台化合物分子群全组分分布规律及应用基础

The development of low grade lignite resources is the current hotspot and difficulty in the field of coal resources. Extraction of coal based fulvic acid is a new approach to efficient conversion and utilization of lignite. Fulvic acid have special effects in a lot of fields, however, the specific composition and mechanism is not very clear. The scientific cognition on the distribution，characteristics and the mechanism of the total components and the important active components in lignite fulvic acid will bring the leap development in the theory and application of fulvic acid..On the basis of the previous research and exploration of the group, through the interdiscipline of coal chemistry, chemical engineering, biological engineering and applied chemistry, and by means of experimental research, theoretical research, molecular simulation and mathematical modeling, micro mesoscopic morphology and physicochemical properties of coal based fulvic acid were characterized by multi dimension and multi scale. The component separation process law of coal based fulvic acid platform compound as the key breakthrough, the quantitative distribution of the total component, molecular structure and basic properties of coal based fulvic acid platform compound were revealed and clarified gradually. The mechanism of coal based fulvic acid on promoting succulents growth and shorten the breeding cycle were constructed. This project will provide scientific and effective basic theory and technical support for the scientific research and application research of fulvic acid from lignite, and it will also lay theoretical foundation for the new development of coal science.

开发低品位褐煤资源，是当前煤炭资源领域的研究热点和难点，煤基黄腐酸提取是褐煤高效转化利用的新途径。黄腐酸在很多领域具有特殊功效，但是，其具体构成及作用机理尚不十分清楚，科学认知褐煤黄腐酸中全组分及重要活性组分的分布规律、组分特性及作用机制，将带来黄腐酸理论及应用研究的跨越式发展。.本项目在前人及课题组前期探索基础上，通过煤化学、化工、生物工程及应用化学等学科交叉，借助试验研究、理论研究、分子模拟与数学建模等多维研究方法推进，多维多尺度表征煤基黄腐酸微介观形貌特征及物化特性，以煤基黄腐酸平台化合物分子群组分分离过程规律为突破口，逐步揭示和阐明煤基黄腐酸平台化合物分子群全组分定量分布规律、自组装分子构成及基本属性，构建基于促进多肉植物生长发育及缩短培育周期的煤基黄腐酸作用机制，为褐煤黄腐酸科学理论研究及应用研究提供科学有效的基础理论与技术支持，也为煤炭科学转型发展奠定理论基础。

煤基黄腐酸具有独特的生理活性而在工业、农业、医药等行业广泛引用，然而黄腐酸的分子结构及组成分布不明确，对黄腐酸理论及应用研究造成了严重制约。科学认识煤基黄腐酸组分结构及重要活性组分的分布规律，对黄腐酸理论及应用研究发展有关键意义。本项目交叉融合煤化学、分子动力学、量子化学、及结构和材料化学等相关多学科，结合分子建模、模拟计算、程序设计等手段及先进的前沿仪器表征，对煤基黄腐酸的全组分分布规律及结构组成进行了深度揭示。研究以内蒙古褐煤、云南褐煤及黑龙江褐煤等国内代表性煤样进行了综合研究，初步探索了黄腐酸对植物生长影响效果和作用规律。结果表明，在煤基黄腐酸中含有羧基，酚羟基、醇羟基，羰基，酮基，巯基，胺基，甲氧基，醛基，类酯，醚键，苯环多取代等结构系列，黄腐酸全组分分布规律以取代苯环和酸性特征官能团为骨架主体，其中羧基、酚羟基含量最高，决定着黄腐酸的主要化学和生物活性；研究分别对其主要官能团进行了精确定量表征和组分分子结构2D平面化学组成及3D空间构型量子化学精准定位。通过煤基黄腐酸对不同植物（波斯菊、黄瓜等）生长应用研究，确认了煤基黄腐酸的主要官能团的生物活性及其分子特征结构对于生物、化学活性性能的影响与生理调节作用，揭示了相关的构效关系。项目原创揭示的煤基黄腐酸的全组分分布规律及其分子结构模型的特征，对后期的相关理论及应用研究具有重要指导意义，为黄腐酸的科学应用奠定了基础。项目执行期间，已发表/录用文章16篇，其中SCI文章11篇，申请/授权专利6件，参加学术会议交流18次，培养研究生20名。