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To investigate the role of a curved char surface in the nitric oxide (NO)-char reaction, single-wall carbon nanotubes (SWCNTs) were proposed as a model for simulating the curved char surface in first-principles calculations. The effect of calcium and potassium decoration on the adsorption of NO was compared for SWCNTs and graphene, the latter of which represented a flat char surface. The contribution...
The catalytic effect of calcium on nitric oxide (NO) heterogeneous adsorption with carbon was investigated through a first-principles calculation on pristine and calcium decorated graphene models, respectively. Compared with the classical polycyclic carbon model, new graphene computational models with periodical boundary conditions are better in simulating the characteristics of solid phase carbon...
This paper advances a novel lignite-fired power generation process based on a OPSB (boiler with an open pulverizing system) and the recovery of water from mill-exhaust after the comprehensive analysis of the open pulverizing system used for high-moisture coals and heat/water recovery from boiler exhaust. Then, the thermal calculation method that applies to OPSB is presented based on heat and mass...
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