Thermodynamic equilibrium study of trace element transformation during underground coal gasification

In order to provide theoretical basis for gas cleaning and pollution control thermodynamic equilibrium calculations were performed to predict the partitioning of trace element species under special conditions for underground coal gasification, including both oxygen-steam gasification and air blown gasification under elevated pressures. The trace elements studied include As, Se, Pb, Ni, Cd, Cr, Sb. The results indicate, in the condition of large-section UCG process with oxygen-steam injection, all the elements studied present in the gas phase during gasification stage. Ni and Cr are hardly volatile and tend to condense below 1000 degrees C. Most of them will be enriched in bottom ash. As, Pb, Cd, Sb totally or partially occur in gas phase in underground gas cleaning system. In cold cleaning system, they exist in condensed phases and tend to be enriched in fly ash, which is beneficial to trace element removal. Se presents in gas phase in the form of H,Se(g) even in ground cold gas cleaning system. The presence of potassium makes arsenic less volatile due to the formation of K3AsO4 and selenium is not affected. Also the amount of gaseous antimony chloride is reduced because of prior formation of alkali metal chloride. Pressure shows a remarkable effect on equilibrium partitioning of As, Se, Sb. With rising pressure, increasing quantities of hydrides of these trace elements are generated due to the enhancement of the reducing atmosphere. At the same time, the condensation points of all the trace elements sharply increase with pressure. It is found that for underground air blown gasification, the gaseous species of trace element sulfide can be easily formed, and the trace elements have lower condensation points than those for oxygen-steam gasification. (C) 2005 Elsevier B.V. All rights reserved.