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At least 19 records

Aerosols in Atmospheric Chemistry and Biogeochemical Cycles of Nutrients

Atmospheric aerosols have complex and variable compositions and properties.While scientific interest is centered on the health and climatic effects of atmospheric aerosols, insufficient attention is given to their involvement in multiphase chemistry that alters their contribution as carriers of nutrients in ecosystems. However, there is experimental proof that the nutrient equilibria of both land and marine ecosystems have been disturbed during the Anthropocene period. This review study first summarizes our current understanding of aerosol chemical processing in the atmosphere as relevant to biogeochemical cycles. Then it binds together results of recent modeling studies based on laboratory and field experiments, focusing on the organic and dust components of aerosols that account for multiphase chemistry, aerosol ageing in the atmosphere, nutrient (N, P, Fe) emissions, atmospheric transport, transformation and deposition. The human-driven contribution to atmospheric deposition of these nutrients, derived by global simulations using past and future anthropogenic emissions of pollutants, is put into perspective with regard to potential changes in nutrient limitations and biodiversity. Atmospheric deposition of nutrients has been suggested to result in human-induced ecosystem limitations with regard to specific nutrients. Such modifications favor the development of certain species against others and affect the overall functioning of ecosystems. Organic forms of nutrients are found to contribute to the atmospheric deposition of the nutrients N, P and Fe by 20%-40%, 35%-45% and 7%-18%, respectively. These have the potential to be key components of the biogeochemical cycles since there is initial proof of their bioavailability to ecosystems. Bioaerosols have been found to make a significant contribution to atmospheric sources of N and P, indicating potentially significant interactions between terrestrial and marine ecosystems. These results deserve further experimental and modeling studies to reduce uncertainties and understand the feedbacks induced by atmospheric deposition of nutrients to ecosystems.

dust↗

AMORE-Isoprene v1.0: A New Reduced Mechanism for Gas-Phase Isoprene Oxidation

Gas-phase oxidation of isoprene by ozone (O 3 ) and the hydroxyl (OH) and nitrate (NO 3 ) radicals significantly impacts tropospheric oxidant levels and secondary organic aerosol formation. The most comprehensive and up-to-date chemical mechanism for isoprene oxidation consists of several hundred species and over 800 reactions. Therefore, the computational expense of including the entire mechanism in large-scale atmospheric chemical transport models is usually prohibitive, and most models employ reduced isoprene mechanisms ranging in size from ∼ 10 to ∼ 200 species. We have developed a new reduced isoprene oxidation mechanism using a directed-graph path-based automated model reduction approach, with minimal manual adjustment of the output mechanism. The approach takes as inputs a full isoprene oxidation mechanism, the environmental parameter space, and a list of priority species which are protected from elimination during the reduction process. Our reduced mechanism, AMORE-Isoprene (where AMORE stands for Automated Model Reduction), consists of 12 species which are unique to the isoprene mechanism as well as 22 reactions. We demonstrate its performance in a box model in comparison with experimental data from the literature and other current isoprene oxidation mechanisms. AMORE-Isoprene's performance with respect to predicting the time evolution of isoprene oxidation products, including isoprene epoxydiols (IEPOX) and formaldehyde, is favorable compared with other similarly sized mechanisms. When AMORE-Isoprene is included in the Community Regional Atmospheric Chemistry Multiphase Mechanism 1.0 (CRACMM1AMORE) in the Community Multiscale Air Quality Model (CMAQ, v5.3.3), O 3 and formaldehyde agreement with Environmental Protection Agency (EPA) Air Quality System observations is improved. O 3 bias is reduced by 3.4 ppb under daytime conditions for O 3 concentrations over 50 ppb. Formaldehyde bias is reduced by 0.26 ppb on average for all formaldehyde measurements compared with the base CRACMM1. There was no significant change in computation time between CRACMM1AMORE and the base CRACMM. AMORE-Isoprene shows a 35 % improvement in agreement between simulated IEPOX concentrations and chamber data over the base CRACMM1 mechanism when compared in the Framework for 0-D Atmospheric Modeling (F0AM) box model framework. This work demonstrates a new highly reduced isoprene mechanism and shows the potential value of automated model reduction for complex reaction systems.

Automated Model Reduction↗

Forming Perchlorates on Mars Through Plasma Chemistry During Dust Events

We report experimental evidences to support a new formation mechanism, multiphase redox plasma chemistry, for perchlorate on Mars observed during the Phoenix mission, whose high concentrations and high ClO4/Cl ratio cannot be fully interpreted by photochemistry. This chemical reaction occurs between Cl-bearing minerals on the Mars surface and free radicals generated by electrostatic discharge (ESD) during Mars dust events (dust storms, dust devils, and grain saltation). We conducted simulated ESD experiments in a Mars chamber with pure CO2, CO2+H2O(g), and Mars Simulate Gas Mixture at Martian atmospheric pressure. We directly observed (1) the instantaneous generation of atmospheric free radicals CO2+, CO+, OI, HIII, HII, OH, ArI, N2, and N2+in normal glow discharge (NGD), detected by in situ plasma emission spectroscopy, and O3by UV and Mid-IR spectroscopy; (2) the fast transformation of NaCl to NaClO3and NaClO4detected by laser Raman spectroscopy, with oxychlorine enrichment at the sample surfaces confirmed by ion chromatography. Through two sets of experimental comparison, we found that the oxidation power of ESD-electron is three orders of magnitude higher than that of UVC-photon. We scaled our experimental results to the modeled ESD in Mars dust events and Mars surface UV radiation level, and concluded that plasma chemistry occurred during Mars dust events can be an additional important formation mechanism for the large amounts of perchlorates observed during various missions to Mars.

Wu, Zhongchen↗

Tropospheric Trace Gas Interactions with Aerosols

Tropospheric aerosols are of considerable environmental importance. They modify the radiative budget of Earth by scattering and absorbing radiation, and by providing nuclei for cloud formation. Additionally, they provide surfaces for heterogeneous and multiphase reactions that affect tropospheric chemistry. For example, Dentener and Crutzen (1993) showed that reactions of N2O5 and NO3 with sulfate aerosols may significantly alter the tropospheric concentrations of NO(x), O3, and OH by converting NOx to HNO3 which is rapidly removed by precipitation. Zhang et al. (1994) assumed these same reactions would occur on dust aerosols and showed that dust outbreaks may reduce NO(x) levels by up to 50%. Dentener et al. (1996) studied the possible effect of reactions on dust on sulfate, nitrate, and O3 concentration. Heterogeneous and multiphase reactions on aerosols may also perturb the sulfur cycle the chlorine cycle and the bromine cycle. Because these reactions can release free chlorine and free bromine they might lead to the destruction of ozone in the marine boundary layer that may be important to include in models of tropospheric chemistry. The goal of our proposed work is to examine the role of heterogeneous and multiphase reactions in the tropospheric cycles of reactive nitrogen and sulfur.

Penner, Joyce E.↗

Interaction of Au, Ag, and Bi ions with Ba2YCu3O(7-y) - Implications for superconductor applications

Results are presented on the reactions of Au, Ag, and Bi ions with Ba2YCu3O(7-y) oxides and on the properties of the resultant materials. The results indicate that Au(3+) structural chemistry makes gold an excellent candidate for multiphase structures of the Ba2Y(Cu/1-x/Au/x/)3O(7-y)-type substituted superconductors. Silver is structurally and chemically compatible with the perovskite structure, but when it forms a second phase, it does so without the destruction of the superconducting phase, making silver a useful metal for metal/ceramic applications. On the other hand, bismuth was shown to degrade Tc phase or to form other phases, indicating that it may not be useful in applications with rare-earth-based superconductors.

Hepp, A. F.↗

An Ensemble Investigation of the Causes for Regional Air-Quality Model Critical Load Exceedances Prediction Variability in European and North American Domains Using Diagnostics From Phase 4 of the Air Quality Model Evaluation International Initiative

We summarize tentative findings from multi air quality model ensembles for the years 2009 and 2010 in Europe (EU), and 2010 and 2016 in North America (NA), under AQMEII-4. The model predictions of sulphur and nitrogen deposition were used to estimate exceedances of critical loads for acidification and eutrophication, to show the extent to which the ensemble members agree in the magnitude and the trend of ecologically meaningful impacts. Model exceedance variability was analyzed using AQMEII-4 diagnostics. Evaluation against concentration and wet deposition observations, coupled with these diagnostics, identified specific process representations as the causes for variability between model predictions and for reduced model performance. All models predicted reductions in ecosystem acidification impacts in North America between the years 2010 and 2016, in accord with SO2 emissions reduction legislation which started in 2010 (SO2 SIP) However, all models in EU and NA domains had net negative biases for wet deposition of sulphur and nitrogen relative to observations. The wet S deposition average mean bias for the NA ensemble was -0.17 eq ha-1 d-1, and for the EU ensemble -1.15 eq ha-1 d-1. The NA daily wet deposition average mean bias for NH4+ was -0.37 eq ha-1d-1; EU -1.19 eq ha-1 d-1. The daily NA wet NO3- deposition average mean bias was -0.24 eq ha-1d-1; EU -0.69 eq ha-1 d-1. The members of the ensemble diverged (factor of 10) in their North American predictions for Ndep and consequently their eutrophication exceedances. The models with the highest eutrophication predictions also predicted the highest levels of gas-phase ammonia dry deposition (standard deviation of ammonia dry deposition flux across ensemble members was larger than the ensemble average). These models also had negative biases of predicted ammonia concentrations; average mean biases of -0.63 (satellite NH3) and -0.85 ppbv (surface NH3) compared to ensemble averages of -0.30 and -0.34 ppbv. Diagnostics showed that these differences resulted from the manner in which bidirectional ammonia fluxes were parameterized within these models. The second largest source of NA eutrophication prediction variability were models with positive biases in particulate ammonium and nitrate concentrations, and higher particle nitrogen deposition levels ( particle ammonium concentration bias +0.35 ug m-3; ensemble bias +0.15 ug m-3). We believe two factors may have led to these latter overestimates: higher levels of fine mode particle nitrate formation compared to other models (due to the use of an inorganic heterogeneous chemistry algorithm which did not take base cation chemistry into account), and updates to particle dry deposition velocities carried out in the absence of concurrent updates to wet scavenging algorithms. The relative importance of dry gas, dry particulate, and wet deposition towards total sulphur and nitrogen deposition totals differed between EU and North American domains, though all models had negative biases in wet deposition as noted above. Parallel and subsequent work suggests that multiphase hydrometeor scavenging may improve model wet deposition performance. An increased research focus is recommended for four model processes: multiphase hydrometeor scavenging, ammonia bidirectional fluxes, base cation chemistry and emissions, and particle dry deposition.

regional air-quality model↗

Base Heating Sensitivity Study for a 4-Cluster Rocket Motor Configuration in Supersonic Freestream

In support of launch vehicle base heating and pressure prediction efforts using the Loci-CHEM Navier-Stokes computational fluid dynamics solver, 35 numerical simulations of the NASA TND-1093 wind tunnel test have been modeled and analyzed. This test article is composed of four JP-4/LOX 500 lbf rocket motors exhausting into a Mach 2 - 3.5 wind tunnel at various ambient pressure conditions. These water-cooled motors are attached to a base plate of a standard missile forebody. We explore the base heating profiles for fully coupled finite-rate chemistry simulations, one-way coupled RAMP (Reacting And Multiphase Program using Method of Characteristics)-BLIMPJ (Boundary Layer Integral Matrix Program - Jet Version) derived solutions and variable and constant specific heat ratio frozen flow simulations. Variations in turbulence models, temperature boundary conditions and thermodynamic properties of the plume have been investigated at two ambient pressure conditions: 255 lb/sq ft (simulated low altitude) and 35 lb/sq ft (simulated high altitude). It is observed that the convective base heat flux and base temperature are most sensitive to the nozzle inner wall thermal boundary layer profile which is dependent on the wall temperature, boundary layer s specific energy and chemical reactions. Recovery shock dynamics and afterburning significantly influences convective base heating. Turbulence models and external nozzle wall thermal boundary layer profiles show less sensitivity to base heating characteristics. Base heating rates are validated for the highest fidelity solutions which show an agreement within +/-10% with respect to test data.

Mehta, Manish↗

Numerical analysis of bipropellant combustion in liquid thrust chambers by an Eulerian-Eulerian approach

The liquid thrust chambers performance (LTCP) code is used for parametric studies of flow and combustion in liquid rocket engines. Multiphase flow equations are solved in an Eulerian-Eulerian framework, and multistep finite rate chemistry is incorporated. The discretization scheme is fully implicit and is based on the total variation diminishing (TVD) scheme, which is accurate, robust, very efficient and capable of handling steep gradients and stiff chemistry. Effects of injection velocity and chamber size have been considered, and the effect of group combustion on the evaporation rate has been studied for a dense spray.

Dang, A. L.↗

Diffusive isothermal partitioning in a layered medium with geologic applications

The diffusive isothermal partitioning of solute in a layered two-phase material has been analyzed to help elucidate the phenomenon of solute partitioning in multiphase lunar and terrestrial materials and to estimate the cooling history of samples. After reviewing the physical chemistry of partitioning and the case of an infinite one-dimensional diffusion couple, we solve in analytic form the case of a finite one-dimensional couple. The solution can be used to estimate cooling histories or to interpret laboratory experiments on partitioning. A sample calculation is included.

Hopper, R. W.↗

Detailed Chemical Kinetic Modeling of Hydrazine Decomposition

The purpose of this research project is to develop and validate a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. Hydrazine is used extensively in aerospace propulsion, and although liquid hydrazine is not considered detonable, many fuel handling systems create multiphase mixtures of fuels and fuel vapors during their operation. Therefore, a thorough knowledge of the decomposition chemistry of hydrazine under a variety of conditions can be of value in assessing potential operational hazards in hydrazine fuel systems. To gain such knowledge, a reasonable starting point is the development and validation of a detailed chemical kinetic mechanism for gas-phase hydrazine decomposition. A reasonably complete mechanism was published in 1996, however, many of the elementary steps included had outdated rate expressions and a thorough investigation of the behavior of the mechanism under a variety of conditions was not presented. The current work has included substantial revision of the previously published mechanism, along with a more extensive examination of the decomposition behavior of hydrazine. An attempt to validate the mechanism against the limited experimental data available has been made and was moderately successful. Further computational and experimental research into the chemistry of this fuel needs to be completed.

Meagher, Nancy E.↗

Spray Combustion Modeling with VOF and Finite-Rate Chemistry

A spray atomization and combustion model is developed based on the volume-of-fluid (VOF) transport equation with finite-rate chemistry model. The gas-liquid interface mass, momentum and energy conservation laws are modeled by continuum surface force mechanisms. A new solution method is developed such that the present VOF model can be applied for all-speed range flows. The objectives of the present study are: (1) to develop and verify the fractional volume-of-fluid (VOF) cell partitioning approach into a predictor-corrector algorithm to deal with multiphase (gas-liquid) free surface flow problems; (2) to implement the developed unified algorithm in a general purpose computational fluid dynamics (CFD) code, Finite Difference Navier-Stokes (FDNS), with droplet dynamics and finite-rate chemistry models; and (3) to demonstrate the effectiveness of the present approach by simulating benchmark problems of jet breakup/spray atomization and combustion. Modeling multiphase fluid flows poses a significant challenge because a required boundary must be applied to a transient, irregular surface that is discontinuous, and the flow regimes considered can range from incompressible to highspeed compressible flows. The flow-process modeling is further complicated by surface tension, interfacial heat and mass transfer, spray formation and turbulence, and their interactions. The major contribution of the present method is to combine the novel feature of the Volume of Fluid (VOF) method and the Eulerian/Lagrangian method into a unified algorithm for efficient noniterative, time-accurate calculations of multiphase free surface flows valid at all speeds. The proposed method reformulated the VOF equation to strongly couple two distinct phases (liquid and gas), and tracks droplets on a Lagrangian frame when spray model is required, using a unified predictor-corrector technique to account for the non-linear linkages through the convective contributions of VOF. The discontinuities within the sharp interface will be modeled as a volume force to avoid stiffness. Formations of droplets, tracking of droplet dynamics and modeling of the droplet breakup/evaporation, are handled through the same unified predictor-corrector procedure. Thus the new algorithm is non-iterative and is flexible for general geometries with arbitrarily complex topology in free surfaces. The FDNS finite-difference Navier-Stokes code is employed as the baseline of the current development. Benchmark test cases of shear coaxial LOX/H2 liquid jet with atomization/combustion and impinging jet test cases are investigated in the present work. Preliminary data comparisons show good qualitative agreement between data and the present analysis. It is indicative from these results that the present method has great potential to become a general engineering design analysis and diagnostics tool for problems involving spray combustion.

Chen, Yen-Sen↗

CFD Analysis of the 24-inch JIRAD Hybrid Rocket Motor

A series of multispecies, multiphase computational fluid dynamics (CFD) analyses of the 24-inch diameter joint government industry industrial research and development (JIRAD) hybrid rocket motor is described. The 24-inch JIRAD hybrid motor operates by injection of liquid oxygen (LOX) into a vaporization plenum chamber upstream of ports in the hydroxyl-terminated polybutadiene (HTPB) solid fuel. The injector spray pattern had a strong influence on combustion stability of the JIRAD motor so a CFD study was initiated to define the injector end flow field under different oxidizer spray patterns and operating conditions. By using CFD to gain a clear picture of the flow field and temperature distribution within the JIRAD motor, it is hoped that the fundamental mechanisms of hybrid combustion instability may be identified and then suppressed by simple alterations to the oxidizer injection parameters such as injection angle and velocity. The simulations in this study were carried out using the General Algorithm for Analysis of Combustion SYstems (GALACSY) multiphase combustion codes. GALACSY consists of a comprehensive set of droplet dynamic submodels (atomization, evaporation, etc.) and a computationally efficient hydrocarbon chemistry package built around a robust Navier-Stokes solver optimized for low Mach number flows. Lagrangian tracking of dispersed particles describes a closely coupled spray phase. The CFD cases described in this paper represent various levels of simplification of the problem. They include: (A) gaseous oxygen with combusting fuel vapor blowing off the walls at various oxidizer injection angles and velocities, (B) gaseous oxygen with combusting fuel vapor blowing off the walls, and (C) liquid oxygen with combusting fuel vapor blowing off the walls. The study used an axisymmetric model and the results indicate that the injector design significantly effects the flow field in the injector end of the motor. Markedly different recirculation patterns are observed in the vaporization chamber as the oxygen velocity and/or spray pattern is varied. The ability of these recirculation patterns to stabilize the diffusion flame above the surface of the solid fuel gives a plausible explanation for the experimentally determined combustion stability characteristics of the JIRAD motor, and suggests how combustion stability can be assured by modifications to the injector design.

Liang, Pak-Yan↗

The Chemistry of the Global Atmosphere; International Symposium of the Commission for Atmospheric Chemistry and Global Pollution of IAMAP, 7th, Chamrousse, France, Sept. 5-11, 1990, Selected Papers

Topics presented include the adsorption and reaction of trichlorofluoromethane on various particles, equilibria of the marine multiphase ammonia system, a novel ozone sensor for direct eddy flux measurements, and characterization of the carbonate content of atmospheric aerosols. Also presented are variations in heavy metals concentrations in Antarctic snows, sources of continental dust over Antarctica during the last glacial cycle, an inventory of anthropogenic emissions and air pollution in the USSR, and atmospheric nuclei in the remote free-troposphere.

Buat-Menard, P.↗

Computer program determines chemical composition of physical system at equilibrium

FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

Kwong, S. S.↗

Critical Load Exceedances for North America and Europe using an Ensemble of Models and an Investigation of Causes for Environmental Impact Estimate Variability: An AQMEII4 Study

Exceedances of critical loads for deposition of sulphur (S) and nitrogen (N) to different ecosystems were estimated using European and North American ensembles of air quality models, under Phase 4 of the Air Quality Model Evaluation International Initiative (AQMEII4), to identify where risk of ecosystem harm is expected to occur based on model deposition estimates. The ensembles were driven by common emissions and lateral boundary condition inputs. Model output was regridded to common North American and Europe 0.125° resolution domains, which were then used to calculate critical load exceedances. New, targeted deposition diagnostics implemented in AQMEII4 allowed an unprecedented level of post-simulation analysis to be carried out and facilitated the identification of specific causes of model-to-model variability in critical load exceedance estimates. New datasets for North American critical loads for acidity for forest soil water and aquatic ecosystems were combined with the ensemble deposition predictions to show a substantial decrease in the area and number of locations in exceedance between 2010 and 2016 (forest soils: 13.2 % to 6.1 %; aquatic ecosystems: 21.2 % to 11.4 %). All models agreed in the direction of the ensemble exceedance change between 2010 and 2016. The North American ensemble also predicted a decrease in both severity and total area in exceedance between the years 2010 and 2016 for eutrophication-impacted ecosystems in the USA (sensitive epiphytic lichen: 81.5 % to 75.8 %). The exceedances for herbaceous community richness also decreased between 2010 and 2016, from 13.9 % to 3.9 %. The uncertainty associated with the North American eutrophication results is high; there were sharp differences between the models in both predictions of total N deposition and the change in N deposition, and hence in the predicted eutrophication exceedances between the two years. The European ensemble was used to predict relatively static exceedances of critical loads with respect to acidification (4.48 % to 4.32 % from 2009 to 2010) while eutrophication exceedance increased slightly (60.2 % to 62.2 %). While most models showed the same changes in critical load exceedances as the ensemble between the two years, the spatial extent and magnitude of exceedances varied significantly between the models. The reasons for this variation were examined in detail by first ranking the relative contribution of different sources of sulphur and nitrogen deposition in terms of deposited mass and model-to-model variability in that deposited mass, followed by their analysis using AQMEII4 diagnostics, along with evaluation of the most recent literature. All models in both the North American and European ensembles had net annual negative biases with respect to observed wet deposition of sulphate, nitrate and ammonium. Diagnostics and recent literature suggest that this bias may stem from insufficient cloud scavenging of aerosols and gases, and may be improved through the incorporation of multiphase hydrometeor scavenging within the modelling frameworks. The inability of North American models to predict the timing of the seasonal peak in wet ammonium ion deposition (observed maximum was in April, while all models predicted a June maximum) may also relate to the need for multiphase hydrometeor scavenging (absence of snow scavenging in all models employed here). High variability in the relative importance of particulate sulphate, nitrate and ammonium deposition fluxes between models was linked to the use of updated particle dry deposition parameterizations in some models. However, recent literature and further development of some of the models within the ensemble suggests these particulate biases may also be ameliorated via the incorporation of multiphase hydrometeor scavenging. Annual sulphur and nitrogen deposition prediction variability was linked to SO 2 and HNO 3 dry deposition parameterizations, and diagnostic analysis showed that the cuticle and soil deposition pathways dominate the deposition mass flux of these species. Further work improving parameterizations for these deposition pathways should reduce variability in model acidifying gas deposition estimates. The absence of base cation chemistry in some models was shown to be a major factor in positive biases in fine mode particulate ammonium and particle nitrate concentrations. Models employing ammonia bidirectional fluxes had both the largest and the smallest magnitude biases, depending on the model and bidirectional flux algorithm employed. A careful analysis of bidirectional flux models suggests that those with poor NH 3 performance may underestimate the extent of NH 3 emissions fluxes from forested areas. Based on these results, an increased process-research focus is therefore recommended for the following model processes and on observations which may assist in model evaluation and improvement: multiphase hydrometeor scavenging combined with updated particle dry deposition, cuticle and soil deposition pathway algorithms for acidifying gases, base cation chemistry and emissions, and NH 3 bidirectional fluxes. Comparisons with satellite observations suggest that oceanic NH 3 emissions sources should be included in regional chemical transport models. The choice of land use database employed within any given model was shown to significantly influence deposition totals in several instances, and employing a common land use database across chemical transport models and critical load calculations is recommended for future work.

critical loads↗

Multiphase dispersions by crystallization processing

The interaction between second-phase particles and crystal-liquid interfaces in the solidification process has been studied in ground-based experiments and experiments under microgravity conditions. An analysis of these data with a view toward the solidification processing of composite materials reveals a pronounced difference between high entropy of fusion and low entropy of fusion matrix materials, as well as a pronounced effect of differences in the thermal conductivity of particles and liquid on the behavior of materials. Effects of liquid viscosity surface topography of the particles, particle chemistry, and overall particle shape examined.

Uhlmann, D. R.↗

A Step Towards CO2-Neutral Aviation

An approximation method for evaluation of the caloric equations used in combustion chemistry simulations is described. The method is applied to generate the equations of specific heat, static enthalpy, and Gibb's free energy for fuel mixtures of interest to gas turbine engine manufacturers. Liquid-phase fuel properties are also derived. The fuels investigated include JP-8, synthetic fuel, and two blends of JP-8 and synthetic fuel. The complete set of fuel property equations for both phases are implemented into a computational fluid dynamics (CFD) flow solver database, and multiphase, reacting flow simulations of a well-tested liquid-fueled combustor are performed. The simulations are a first step in understanding combustion system performance and operational issues when using alternate fuels, at practical engine operating conditions.

Brankovic, Andreja↗