Modeling Multicomponent Fuel Droplet Vaporization with Finite Liquid Diffusivity Using Coupled Algebraic-Dqmom with Delumping

Multicomponent fuel droplet vaporization models for use in combustion CFD codes often prioritize computational efficiency over model complexity. This leads to oversimplifying assumptions such as single component droplets or infinite liquid diffusivity. The previously developed Direct Quadrature Method of Moments (DQMoM) with delumping model demonstrated a computationally efficient and accurate approach to solve for every discrete species in a well-mixed vaporizing multicomponent droplet. To expand the method to less restrictive cases, a new solution technique is presented called the Coupled Algebraic-Direct Quadrature Method of Moments (CA-DQMoM). In contrast to previous moment methods for droplet vaporization, CA-DQMoM solves for the evolution of two liquid distributions by coupling a monovariate, homogeneous DQMoM approach with additional algebraic moment equations, allowing for a more complex droplet vaporization model with finite rates of liquid diffusion to be solved with computational efficiency. To further decrease computational expense, an approximation that employs the same nodes for both distributions can be used in certain cases. Finally, a delumping technique is adapted to the finite diffusivity model to reconstruct discrete species information at minimal computational cost. The model is proven to be accurate relative to a full discrete component model for both a kerosene droplet comprised of 36 species and a multicomponent droplet of 200 species while maintaining the computational efficiency of continuous thermodynamics models. The combined accuracy and computational efficiency demonstrated by the CA-DQMoM with delumping model for a multicomponent fuel droplet with finite liquid diffusivity makes it ideal for incorporation into CFD models for complex combustion process

Direct Quadrature Method of Moments with Delumping for Modeling Multicomponent Droplet Vaporization

A multicomponent droplet vaporization model which combines the computational efficiency of continuous thermodynamic approaches with the detailed species information provided by discrete component models has been developed. The Direct Quadrature Method of Moments (DQMoM) is used to efficiently solve for the evolution of the nodes and weights of the equivalent liquid-phase mole fraction distribution without assuming any functional form. The novelty of the approach is an inexpensive delumping procedure that is used to reconstruct the time-dependent mole fractions and fluxes for all discrete species. When applied to a vaporizing kerosene droplet, agreement between the full discrete component model, which solves ODEs for every individual species, and DQMoM with delumping, which solves only a few ODEs, is excellent. This computationally inexpensive model is well-suited for implementation in CFD codes with detailed kinetic mechanisms, as it enables accurate calculation of species source terms from the droplets without incurring an unrealistic computational cost

An Efficient Coal Pyrolysis Model for Detailed Tar Species Vaporization

An accurate and computationally efficient model for the vaporization of many tar species during coal particle pyrolysis has been developed. Like previous models, the molecular fragments generated by thermal decomposition are partitioned into liquid metaplast, which remains in the particle, and vapor, which escapes as tar, using a vapor-liquid equilibrium(VLE) sub-model. Multicomponent VLE is formulated as a rate-based process, which results in an ordinary differential equation (ODE) for every species. To reduce the computational expense of solving many ODEs, the model treats tar and metaplast species as a continuous distribution of molecular weight. To improve upon the accuracy of previous continuous thermodynamic approaches for pyrolysis, the direct quadrature method of moments (DQMoM) is proposed to solve for the evolving distributions without assuming any functional form. An inexpensive delumping procedure is also utilized to recover the time-dependent mole fractions and fluxes for every discrete species. The model is well-suited for coal-to-chemicals processes, and any application which requires information on a range of tar species. Using a modified CPD model as the basis for implementation of the VLE submodel, agreement between the full discrete model and DQMoM with delumping is excellent, with substantial computational savings

A Hybrid Droplet Vaporization-Chemical Surrogate Approach for Emulating Vaporization, Physical Properties, and Chemical Combustion Behavior of Multicomponent Fuels

The complex nature of multicomponent aviation fuels presents a daunting task for accurately simulating combustion behavior without incurring impractical computational costs. To reduce computation time, chemical fuel surrogates comprised of only a few species are used to emulate the combustion of complex pre-vaporized fuels. These surrogates are often unable to match the vaporization behavior and physical properties of the real fuel and fail to capture the effect of preferential vaporization on combustion behavior. Therefore, a computationally efficient, hybrid droplet vaporization-chemical surrogate approach has been developed which emulates both the physical and chemical properties of a multicomponent kerosene fuel. The droplet vaporization/physical portion of the hybrid uses the Coupled Algebraic–Direct Quadrature Method of Moments with delumping to accurately solve for the evolution of every discrete species in a vaporizing fuel droplet with the computational efficiency of a continuous thermodynamic model. The chemical surrogate portion of the hybrid is linked to the vaporization model using a functional group matching method, which creates an instantaneous surrogate composition to match the distribution of chemical functional groups (CH2, (CH2)n, CH3 and Benzyl-type) in the vaporization flux of the full fuel. The result is a hybrid method which can accurately and efficiently predict time-dependent, distillation-resolved combustion property targets of the vaporizing fuel and can be used to investigate the effects of preferential vaporization on combustion behavior

Characteristics and Applications of Biochars Derived from Wastewater Solids

Pyrolysis is a thermochemical decomposition process that can be used to generate pyrolysis gas (py-gas), bio-oil, and biochar as well as energy from biomass. Biomass from agricultural waste and other plant-based materials has been the predominant pyrolysis research focus. Water resource recovery facilities also produce biomass, referred to as wastewater solids, that could be a viable pyrolysis feedstock. Water resource recovery facilities are central collection and production sites for wastewater solids. While the utilization of biochar from a variety of biomass types has been extensively studied, the utilization of wastewater biochars has not been reviewed in detail. This review compares the characteristics of wastewater biochars to more conventional biochars and reviews specific applications of wastewater biochar. Wastewater biochar is a potential candidate to sorb nutrients or organic contaminants from contaminated wastewater streams. While biochar has been used as a beneficial soil amendment for agricultural applications, specific research on wastewater biochar is lacking and represents a critical knowledge gap. Based on the studies reviewed, if biochar is applied to land it will contain less organic micropollutant mass than conventional wastewater solids, and polycyclic aromatic hydrocarbons are not likely to be a concern if pyrolysis is conducted above 700 °C. Wastewater biochar is likely to serve as a better catalyst to convert bio-oil to py-gas than other conventional biochars because of the inherently higher metal (e.g., Ca and Fe) content. The use of wastewater biochar alone as a fuel is also discussed. Finally, an integrated wastewater treatment process that produces and uses wastewater biochar for a variety of food, energy, and water (FEW) applications is proposed

Pore-Resolving Simulations of Biomass Char Particle Combustion

Biomass char morphology affects combustion behavior at the particle scale for zone II conditions, in which both heterogeneous reaction and intra-particle diffusion govern the overall rate. Furthermore, particle-scale processes affect reactor-scale outputs, and reactor-scale simulations are sensitive to particle-scale models. However, most char particle combustion models employ coarse-grained, effective-continuum approaches, which treat all porosity at the subgrid-scale. Effective-continuum approaches are not valid or accurate in the presence of large, irregular pores which can approach the size of the particle. A 3-D, pore-resolving CFD simulation approach using real biomass char particle geometries obtained from X-ray micro-computed tomography (micro-CT) is therefore used to examine the impact of morphology on zone II combustion for pulverized (∼100 µm) biomass char particles for the first time. In contrast to larger, millimeter to centimeter sized particles, the sub-millimeter, high aspect ratio biomass char particles exhibited localized reactant penetration into the innermost regions of the particles, facilitated by the presence of large pores connected to the external surface. The oxygen mole fraction distributions were governed by the large pore morphology, were non-monotonic with distance from the surface, and achieved minima in thick microporous char regions surrounding the large pores. A comparison between the pore-resolving simulation and an equivalent, spatially resolved, effective-continuum simulation revealed that even in the microporous char, the effective-continuum model underpredicted reactant penetration. A careful comparison was then performed between 30 pore-resolving particle simulations and several effectiveness factor models that employed particle-specific parameters. Commonly used uniform cylinder models significantly underpredicted effectiveness factors for these real pulverized pine char particles, while accessible hollow cylinder models achieved less than 10% relative error when averaged over all 30 particles

Pore-Resolving Simulations to Study the Impacts of Char Morphology on Zone II Combustion and Effectiveness Factor Models

Combustion and gasification of pulverized char often occur under zone II conditions, in which the rate of conversion depends on both heterogeneous reaction and gas transport within the particle\u27s porous structure. The morphology of porous char has a strong influence on intra-particle diffusion, and thus, on the overall conversion rate. Because pulverized coal and biomass char particles are often irregularly shaped and contain pores and voids which can approach the size of the particles themselves, conventional models based on spherical symmetry and coarse-grained, upscaled, effective continuum conservation equations are not applicable or appropriate. A recent 3-D, pore-resolving CFD simulation approach based on real char particle geometries obtained from X-ray micro-computed tomography (micro-CT) obviates the need to upscale over large heterogeneities and to make oversimplifying geometric assumptions. The micro-CT-based pore-resolving approach is employed here to study zone II combustion for fifty pulverized, porous coal char particles produced at a high heating rate. The large pores often present in char particles enhance reactant transport throughout the particles, even within the micro- and meso-porous carbon surrounding the large pores. This is particularly the case for network-type particle structures, due to the prominence of channels that extend from the particle surface. Because reactor-scale codes often employ one-dimensional models to calculate the reaction rates of tracked particles, pore-resolving simulations are used to assess the accuracy of existing effectiveness factor models for real char. Cenospherical particles can be reasonably modeled using an effectiveness factor solution for hollow spheres, but the behavior of more complex network morphologies is not well-predicted by any of the effectiveness factor models examined

Micro-CT-Based Approaches for Quantifying the Morphology of Pulverized Char Particles

Morphological analysis of pulverized coal char particles using two-dimensional (2-D) cross-sectional imaging has been widely employed, but its accuracy has not been adequately assessed. In this study, pulverized coal char particles are imaged in three dimensions (3-D) using high-resolution X-ray microcomputed tomography (micro-CT). Particle volume, macropore volume, and macroporosity are measured in three dimensions and analyzed as a function of distance from the particle center using averaging at each radial location. A technique for extracting each particle’s average wall thickness, another morphological parameter used for classification, is also presented based on micro-CT imaging. When applied to pulverized bituminous coal char particles, the micro-CT-based analysis revealed a similar spatial distribution of macroporosity among a population that would typically be classified as containing both group II (mixed porous-solid) and group III (dense) particles. Wall thicknesses determined by micro-CT were generally well predicted by a model representing the particles as thick- and thin-walled cenospheres. Comparisons between 2-D and 3-D techniques reveal significant differences because of the use of just a single cross-sectional image in 2-D approaches. A new method for estimating macroporosity from 2-D imaging, called the cylindrical stacking method, is proposed for cases in which the micro-CT analysis is not feasible