摘要
煤中微量元素一直是重要课题,目前研究尚在亲有机-无机的宏观界定,由于煤结构的复杂性,对于微观状态的微量元素的有机亲和性,尚未涉及微观研究。本文查阅近年对煤中微量元素的测定、研究方法、煤分子模拟方法、金属有机化学配位理论方法,结合目前对煤结构的分子模拟实验研究,从技术,理论、模拟角度对煤中微量元素的赋存状态分子模拟的可行性进行初步研究,以对其赋存机制提供思路方法。
Having been an important subject for a long time,the study of trace elements in coal is at the stage of inorganic/organic macro-definition currently.Because of the complexity of coal structure,organic affinity of the trace elements in microstate has not been studied at the microscope level.The paper reviewed the determination of the trace elements in coal,the research methods,the simulation of coal molecules,and the organic metal coordination chemistry theory.Based on the current molecular simulation experiment of the coal structure,the preliminary research on feasibility of molecular simulation of the coal trace elements occurrence was conducted in terms of technology,theory,and simulation.
出处
《山西煤炭》
2012年第11期39-40,63,共3页
Shanxi Coal
关键词
煤
微量元素
有机-无机亲和性
分子模拟
coal
trace elements
inorganic/organic affinity
molecular simulation
