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In this paper, we explore the deflagration combustion of methane–air mixtures through both experimental and numerical analyses. The key parameters defining deflagration combustion dynamics include maximum explosion pressure (Pmax), maximum rate of explosion pressure rise (dP/dt)max, deflagration index (KG), and laminar burning velocity (SU). Understanding these parameters enhances the process of safety design across the energy sector, where light-emissive fuels play a crucial role in energy transformation. However, most knowledge on these parameters comes from experiments under standard conditions (P = 1 bar, T = 293.15 K), with limited data on light hydrocarbon fuels at elevated temperatures. Our study provides new insights into methane–air mixture deflagration dynamics at temperatures ranging from 293 to 348 K, addressing a gap in the current process industry knowledge, especially in gas and chemical engineering. We also conduct a comparative analysis of predictive models for the laminar burning velocity of methane mixtures in air, including the Manton, Lewis, and von Elbe, Bradley and Mitcheson, and Dahoe models, alongside various chemical kinetic mechanisms based on experimental findings. Notably, despite their simplicity, the Bradley and Dahoe models exhibit a satisfactory predictive accuracy when compared with numerical simulations from three chemical kinetic models using Cantera v. 3.0.0 code. The findings of this study enrich the fundamental combustion data for methane mixtures at elevated temperatures, vital for advancing research on natural gas as an efficient "bridge fuel" in energy transition. [ABSTRACT FROM AUTHOR]

A rotating detonation engine (RDE) is a highly promising detonation-based propulsion system and has been widely researched in recent decades. In this study, BYCFoam, the latest gaseous version of the BYRFoam family, is developed specifically for RDE simulations. It is based on the standard compressible flow solver rhoCentralFoam in OpenFOAM and incorporates several enhancements: improved reconstruction variables and flux schemes; detailed chemistry and transport properties; the utilization of an adaptive mesh refinement (AMR) and dynamic load balancing (DLB). A series of comprehensive numerical tests are conducted, including the shock-tube problem, shock-wave diffraction, homogeneous ignition delay, premixed flame, planar detonation, detonation cellular structure and rotating detonation combustor (RDC). The results demonstrate that BYCFoam can accurately and efficiently simulate the deflagration and detonation processes. This solver enhances the capability of the BYRFoam family for the in-depth exploration of RDE in future research. [ABSTRACT FROM AUTHOR]

Underground coal gasification (UCG) is an in situ conversion technique that enables the production of high-calorific synthesis gas from resources that are economically not minable by conventional methods. A broad range of end-use options is available for the synthesis gas, including fuels and chemical feedstock production. Furthermore, UCG also offers a high potential for integration with Carbon Capture and Storage (CCS) to mitigate greenhouse gas emissions. In the present study, a stoichiometric equilibrium model, based on minimization of the Gibbs function has been used to estimate the equilibrium composition of the synthesis gas. Thereto, we further developed and applied a proven thermodynamic equilibrium model to simulate the relevant thermochemical coal conversion processes (pyrolysis and gasification). Our modeling approach has been validated against thermodynamic models, laboratory gasification experiments and UCG field trial data reported in the literature. The synthesis gas compositions have been found to be in good agreement under a wide range of different operating conditions. Consequently, the presented modeling approach enables an efficient quantification of synthesis gas quality resulting from UCG, considering varying coal and oxidizer compositions at deposit-specific pressures and temperatures. [ABSTRACT FROM AUTHOR]