A numerical framework for modeling evaporation and combustion of isolated, multi-component fuel droplets

This paper presents a comprehensive numerical framework for simulating the evaporation and combustion of isolated, spherically-symmetric, multi-component fuel droplets. The framework incorporates a detailed description of chemical reactions in the gaseous phase and is capable of modeling pure evaporation, autoignition, and hot-wire ignition scenarios. The transport equations for mass, species, and energy are solved in both the liquid (droplet) and gaseous (surrounding atmosphere) phases. Diffusion in the liquid phase is described using the Stefan-Maxwell theory, while in the gaseous phase, both molecular and thermal diffusion are considered. The model also includes the thermophoretic effect for carbonaceous particles and accounts for gas radiation through various models, ranging from optically-thin approximations to more complex methods like the P1 and discrete ordinate methods. Non-gray radiative effects are handled using the Weighted-Sum-of-Gray-Gases Model (WSGGM). Liquid/gas interface conditions are evaluated by imposing flux continuity of mass and energy, along with thermodynamic equilibrium for species. Deviations from ideal thermodynamic behavior in the liquid droplet are managed by incorporating a suitable activity coefficient or by using a proper cubic equation of state. Additionally, the presence of supporting fibers is modeled using a simplified one-dimensional approach. The transport equations are solved using the method of lines, with spatial discretization performed via the finite difference method on a body-fitted grid. The resulting system of Differential-Algebraic Equations (DAEs) is then solved using a fully-coupled approach. Thanks to its generality in terms of kinetic and thermodynamic descriptions and the reduced computational time, the proposed framework offers significant potential for advancing our understanding of the complex combustion processes of multi-component liquid fuels and for enhancing the planning and execution of experiments involving isolated fuel droplets.