等离子体炬辅助煤气化中活性组分的作用

ACTIVE INGREDIENTS ACTION IN THE PLASMA JET AID COAL GASIFICATION

在对等离子体炬辅助煤气化过程中活性物种的特征和反应参数分析的基础上,设计了以证实活性组分的作用实验.通过量子化学计算,发现活性组分单线态氧和O2+等与水分子的氧原子直接作用更显著地改变了水分子结构,更有利于断键形成自由基OH.,OH.可以与煤中的碳发生反应.根据实验工作气体中氧含量对实验主要产物H2,CO和CO2体积分数的回归方程,提出活性组分诱发煤气化反应的可能化学反应通道.

On the basis of the analysis for the active species character grid the reaction parameter in the process of the plasma jet aid coal gasification, the experiments for confirming active species action has been designed in this paper. Through quantum chemistry calculation; it is found that the water molecule structure was changed observably by direct action between the active ingredients： singlet oxygen, O2＋ etc and oxygen atom in the water molecule in the coal gasification, and these actions was favorable to form free radical OH· , which react with the carbon in the coal by the broken O--H bond. Likely reaction channel induced by the active ingredients has been posed according to the regression equations on oxygen contents in the working gas to the volume fractions of the staple： H2, CO and CO2 in the experiment.