Abstract
Based on the structural inhomogeneities of coal and intermediate products of coal liquefaction, a new kinetic model was advanced to simulate the Shenhua coal liquefaction catalyzed by SO 4 2 = /ZrO 2 solid acid catalyst using kinetic lump method. It was found that coal was hydrocracked to preasphaltene, asphaltene, oil and gas directly, and preasphaltene and asphaltene were further hydrocracked into oil and gas products in coal liquefaction. Certain regressive reactions existed in the process. The liquefaction conversions calculated from the model agreed well with the experimental data for Shenhua coal liquefaction catalyzed by SO 4 2 = /ZrO 2 solid acid at the range of experimental conditions, and the activation energies were 69–136 kJ mol −1. There existed obvious regressive reactions at higher liquefaction temperatures. However, besides the regressive transformation of oil and gas to asphaltene at 450 °C liquefaction, there also existed condensation processes of preasphaltene and asphaltene to coke.
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