Abstract
The co-pyrolysis of natural gas and coal is a promising way for the production of acetylene due to its high efficiency for energy and hydrogen utilization. This work investigated the thermodynamics for the co-pyrolysis reaction of natural gas and coal using density functional theory. The favorable reaction conditions are presented in the form of phase diagrams. The calculation results show that the extra amount of methane may benefit the production of acetylene in the co-pyrolysis reaction, and the C/H ratio of 1:1, temperature around 3000 K and pressure at 0.1 MPa are most favorable. The results would provide basic data for related industrial process for the production of acetylene.
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