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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Pollutant concentrations and emission rates from natural gas cooking burners without and with range hood exhaust in nine California homes

Combustion pollutant concentrations were measured during the scripted operation of natural gas cooking burners in nine homes. Boiling and simmering activities were conducted on the stovetop and in the oven with and without range hood exhaust ventilation or air mixing via a forced air system. Time-resolved concentrations of carbon dioxide (CO 2 ), nitric oxide (NO), nitrogen oxides (NO x ), nitrogen dioxide (NO 2 ), particles with diameters of 6 nm or larger (PN), carbon monoxide (CO), and fine particulate matter (PM 2.5 ) were measured in the kitchen and bedroom area of each home. Four of the nine homes had kitchen 1 h NO 2 exceed the national ambient air quality standard (100 ppb). In all homes, the highest 1 h integrated PN exceeded 2 × 10 5 cm -3 -h, and the highest 4 h PN exceeded 3 × 10 5 cm -3 -hr in the kitchen. Range hood performance varied widely, but one with a large capture volume and a measured flow of 108 L/s reduced concentrations 80–95%. Increased awareness of the need to ventilate when cooking, along with building standards for minimum range hood flow rates and volume, could substantially reduce exposures to NO 2 and ultrafine particles in homes.

03 NATURAL GAS↗
DOE OSTI2026

Effect of H 2 O on the ethylene glycol/alkali dismantling of bagasse for high-value conversion

Using a high-boiling alcohol system to dismantle main components of biomass is a feasible technology. Reducing dismantle operating costs and improving dismantle efficiency are essential for promoting the green, economical, and sustainable development of biomass refining. Therefore, based on the low cost and chemical properties of H 2 O at high temperature, the effects of different H 2 O dosages in NaOH-catalyzed ethylene glycol (HBAA) system on the dismantling efficiency of bagasse, surface lignin coverage, recovered-lignin activity and enzymatic hydrolysis efficiency were investigated. Compared with the HBAA dismantling system without H 2 O, the HBAA system with 60% w/v H 2 O can obviously increase the removal rates of lignin and hemicellulose, while recovering up to 99% of cellulose and significantly declining surface lignin coverage, thus enhancing the enzymatic hydrolysis efficiency. Additionally, the results of density functional theory calculations and 2D HSQC NMR analysis prove that the synergy between H 2 O and ethylene glycol can promote the esterification reaction occurrence at the α-C carbon cation in β-O-4 structure of lignin, thereby protecting the β-O-4 aromatic ether bond. Simultaneously, when the H 2 O dosage increase from 0% to 60%, the enzymatic yield increases from 84.51% to 93.74% with an enzyme load of 10 FPU/g. Based on experimental results, this study conducted a techno-economic analysis of bagasse dismantling for ethanol and co-production of lignin, achieving a minimum ethanol selling price of $\$$1.07 per kg. Here, in this study, a green and economical solution for dismantling the main components of bagasse is developed, which is important for the high-value conversion of bagasse.

Ethylene glycol↗
DOE OSTI2014

Correlation of rocket propulsion fuel properties with chemical composition using comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry followed by partial least squares regression analysis

There is an increased need to more fully assess and control the composition of kerosene based rocket propulsion fuels, namely RP-1 and RP-2. In particular, it is crucial to be able to make better quantitative connections between the following three attributes: (a) fuel performance, (b) fuel properties (flash point, density, kinematic viscosity, net heat of combustion, hydrogen content, etc) and (c) the chemical composition of a given fuel (i.e., specific chemical compounds and compound classes present as a result of feedstock blending and processing). Indeed, recent efforts in predicting fuel performance through modeling put greater emphasis on detailed and accurate fuel properties and fuel compositional information. In this regard, advanced distillation curve (ADC) metrology provides improved data relative to classical boiling point and volatility curve techniques. Using ADC metrology, data obtained from RP-1 and RP-2 fuels provides compositional variation information that is directly relevant to predictive modeling of fuel performance. Often, in such studies, one-dimensional gas chromatography (GC) combined with mass spectrometry (MS) is typically employed to provide chemical composition information. Building on approaches using GC-MS, but to glean substantially more chemical composition information from these complex fuels, we have recently studied the use of comprehensive two dimensional gas chromatography combined with time-of-flight mass spectrometry (GC × GC - TOFMS) to provide chemical composition data that is significantly richer than that provided by GC-MS methods. In this report, by applying multivariate data analysis techniques, referred to as chemometrics, we are able to readily model (correlate) the chemical compositional information from RP-1 and RP-2 fuels provided using GC × GC - TOFMS, to the fuel property information such as that provided by the ADC method and other specification properties. We anticipate that this new chemical analysis strategy will have broad implications for the development of high fidelity composition-property models, leading to an optimized approach to fuel formulation and specification for advanced engine cycles.

fuel↗
DOE OSTI2023

Comprehensive two-dimensional gas chromatography under low-pressure conditions

The analysis of thermally labile and high-boiling point compounds by gas chromatography (GC) can be a challenge. One technique to overcome these challenges is low-pressure GC, which uses the vacuum produced from the mass spectrometer and wide-bore columns to elute compounds at significantly lower temperatures. While GC-MS is a powerful technique, comprehensive two-dimensional gas chromatography (GC × GC), allows for resolution of compounds that would typically coelute using GC. Here, in this study, a pesticide standard mixture (8270 MegaMix Standard) was analyzed using a conventional GC × GC-TOFMS configuration (0.25 mm inner diameter (i.d.) to a 0.18 mm i.d. column) and low-pressure GC × GC-TOFMS configuration (0.53 mm i.d. to a 0.53 mm i.d. column). Elution temperatures, sensitivity, and peak capacity were investigated for both configurations. Compounds eluted an average of 30 °C less on the low-pressure GC × GC-TOFMS configuration compared to the conventional GC × GC-TOFMS configuration. Moreover, the compounds were separated in ~13 min on the low-pressure GC × GC-TOFMS as opposed to 33 min for conventional GC × GC-TOFMS. However, due to the wide-bore columns and faster runtimes the low-pressure GC × GC-TOFMS had a lower, β corrected 2D peak capacity, n c,β,2D , of 1260 while the conventional GC × GC-TOFMS was 3588. Interestingly, both configurations yielded a similar peak capacity production of 93 peaks/min and 107 peaks/min for low-pressure and conventional GC × GC-TOFMS, respectively. A “real world” sample of diesel fuel was tested on the low-pressure and conventional GC × GC-TOFMS configurations and similar results were obtained compared to the pesticide standard mix except the peak capacity production of the low-pressure GC × GC-TOFMS configuration was higher than that of the conventional GC × GC-TOFMS method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Heating-freezing effects on the orientation of kaolin clay particles

The effects of temperature changes on the particle orientation of a consolidated kaolin are studied using XRD experiments. Here, two sets of equipment were utilized in this study: a benchtop equipment, and a synchrotron beamline at the National Synchrotron Light Source II (NSLS-II) at Brookhaven National Laboratory. The kaolin specimens tested in the benchtop XRD were subjected to elevated and freezing temperatures ex-situ, while those used for the NSLS-II experiment were exposed to the temperature changes in-situ. The temperatures considered in this study range from freezing (-10 °C) to elevated temperature below boiling (90 °C). The thermally-induced reorientation of clay mineral particles is highly dependent on the relative orientation of the clay mineral particles with respect to the applied thermal gradient. For example, kaolin samples with kaolinite particles oriented perpendicular to the thermal gradient, and to the expected thermally-induced pore water flow, experience much higher particles reorientations compared to samples with particles initially oriented parallel to the thermal gradient. Lastly, freezing kaolin preserved its microstructure as ice crystals form.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Autoignition of trans -decalin, a diesel surrogate compound: Rapid compression machine experiments and chemical kinetic modeling

Decahydronaphthalene (decalin), with both cis and trans isomers, is a bicyclic alkane that is found in aviation fuels, diesel fuels, and alternative fuels from tar sands and oil shales. Between the two decalin isomers, trans-decalin has a lower cetane number, is energetically more stable, and has a lower boiling point. Moreover, trans-decalin has often been chosen as a surrogate component to represent two-ring naphthenes in transportation fuels. Recognizing the importance of understanding the chemical kinetics of trans-decalin in the development of surrogate models, an experimental and modeling study has been conducted. Experimentally, the autoignition characteristics of trans-decalin were investigated using a rapid compression machine (RCM) by using trans-decalin/O2/N2 mixtures at compressed pressures of PC=10–25 bar, low-to-intermediate compressed temperatures of TC=620–895 K, and varying equivalence ratios of Φ=0.5, 1.0, and 2.0. These new experimental data demonstrate the effects of pressure, fuel loading, and oxygen concentration on autoignition of trans-decalin. The current RCM data of trans-decalin at lower temperatures were also found to complement well with the literature shock tube data of decalin (mixture of cis+trans) at higher temperatures. Furthermore, a chemical kinetic model for the oxidation of trans-decalin has been developed with new reaction rates and pathways, including, for the first time, a fully-detailed representation of low-temperature chemical kinetics for transdecalin. This model shows good agreement with the overall ignition delay results of the current RCM experiments and the literature shock tube studies. Chemical kinetic analyses of the developed model were further conducted to help identify the fuel decomposition pathways and the reactions controlling the autoignition at varying conditions.

10 SYNTHETIC FUELS↗
DOE OSTI2020

Autoignition behavior of gasoline/ethanol blends at engine-relevant conditions

Ethanol is an attractive oxygenate increasingly used for blending with petroleum-derived gasoline yielding beneficial combustion and emissions behavior for a range of internal combustion engine schemes, including stoichiometric spark-ignition and low temperature combustion (LTC). As such, it is important to fundamentally understand the autoignition behavior of gasoline/ethanol blends. This work utilizes a rapid compression machine (RCM) and a homogeneous charge compression ignition (HCCI) engine to experimentally quantify changes in fuel reactivity, through ignition delay times and preliminary heat release, for blends of 0 to 30% vol./vol. into a full boiling range research gasoline (FACE-F). Diluted/stoichiometric and undiluted/fuel-lean conditions are explored covering a wide range of compressed temperatures and pressures relevant to conventional and advanced, gasoline combustion engines. Detailed chemical kinetic modeling is undertaken using a recently updated gasoline surrogate model in conjunction with a five-component surrogate to model the RCM experiments and provide chemical insight into the perturbative effects of ethanol on the autoignition process. The diluted/stoichiometric RCM measurements reveal that within the low-temperature regime ethanol retards first-stage and main ignition delay times, and suppresses both the rates and extents of low-temperature heat release (LTHR), while within the intermediate-temperature regime ethanol only causes slight changes. Good agreement of ignition delay time and preliminary heat release prediction is found between model and experimental results. Sensitivity and flux analyses further show that ethanol blending effects are dominated by the competition between the H-atom abstraction from ethanol and other fuel components by OH radical at low temperatures and by HO 2 radical at intermediate temperatures. These findings are consistent across both fuel loading conditions explored in this study. In addition, when HCCI engine experiments are mapped onto undiluted/lean RCM measurements under a constant combustion phasing scenario, good correspondence between the two apparatuses is observed for LTHR and start of high-temperature heat release. Finally, the current study highlights the importance of characterizing LTHR in predicting fuel behaviors in high-boost/low-temperature engines, and demonstrates that RCM experiments can provide an alternative, and more-efficient avenue for such characterization.

02 PETROLEUM↗
DOE OSTI2021

Autoignition and preliminary heat release of gasoline surrogates and their blends with ethanol at engine-relevant conditions: Experiments and comprehensive kinetic modeling

This work utilizes a rapid compression machine (RCM) to experimentally quantify autoignition and preliminary heat release characteristics for blends of 0 to 30% ethanol by volume into two surrogates (FGF-LLNL and FGF-KAUST) that represent a full boiling range gasoline (FACE-F). Experimental conditions cover pressures from 15 to 100 bar, temperatures from 700 to 1000 K, and diluted/stoichiometric and undiluted/lean fuel loading conditions representative of boosted spark-ignition and advanced compression ignition engines, respectively. Direct comparison is made with previously reported results for FACE-F/E0–E30 blends. Here, a detailed gasoline surrogate chemistry model is also proposed, and chemical kinetic modeling is undertaken using the proposed model to generate chemical insights into the compositional effects and ethanol blending effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Effect of the ..beta..-Hydroxy Group on Ester Reactivity: Combustion Kinetics of Methyl Hexanoate and Methyl 3-Hydroxyhexanoate

One of the major biofuels used today is biodiesel, composed of fatty acid methyl esters. The fats and oils feedstocks used to make biodiesel are in relatively short supply. To meet increasing global demand, engineered microorganisms have been developed to catalyze conversion of sugar to fatty acid esters that contain unique ..beta..-hydroxy-esters. This study investigated the effect of a hydroxyl group on the combustion characteristics of methyl esters by comparing the chemical behavior of methyl hexanoate (MHx) and methyl 3-hydroxyhexanoate (M3OHHx) - used as surrogates for diesel-boiling-range esters with longer fatty acid chains. The oxidation of these esters was studied experimentally in a flow reactor at 0.84 and 10 bar, 600 to 1,100 K, and stoichiometric conditions; and in a constant volume combustion chamber at 5 and 10 bar, 600 to 900 K, and equivalence ratios of 0.3 and 0.6. MHx was more reactive in the constant volume chamber at temperatures below 800 K at 10 bar and equivalence ratio of 0.6. MHx also exhibited a higher indicated cetane number (16.4) than M3OHHx (8.1). We investigated this reactivity trend using an updated MHx kinetic model and M3OHHx model developed as part of this work. The kinetic models predicted that radicals formed from MHx were consumed by low-temperature chemistry reactions, whereas the M3OHHx reactivity was significantly governed by the ..beta..-radical (on the same carbon as the OH group) chemistry which mainly terminated via the less reactive chain propagation pathway to methyl-3-oxohexanoate + HO2. This study extends our understanding of structural effects on ester reactivity, which will allow for accurate surrogate formulation and performance simulations.

AFIDA↗
DOE OSTI2024

IASCC of 304 SS in BWR environments: Effects of post-irradiation annealing and surface condition

To investigate the impact of low-temperature post-irradiation annealing (PIA) on the stress corrosion cracking of neutron-irradiated 304 stainless steel, constant extension rate tests were conducted in simulated boiling water reactor normal water chemistry (BWR-NWC) and hydrogenated water chemistry (HWC) environments. Ten tensile samples, comprising five as-irradiated and five PIA specimens, were prepared by electropolishing the gauge section of electric discharge machined (EDM) samples. Here, the annealing treatment reduced the yield strength from approximately 550 MPa to around 425 MPa and significantly restored the ductility and the strain hardening capability of the alloy. Consequently, the susceptibility of this material to irradiation-assisted stress corrosion cracking (IASCC) was effectively mitigated, which is more prominent in HWC, as evident from fractography, which indicated a decreased propensity for intergranular (IG) fracture. Furthermore, it was observed that the polished surface facilitated crack initiation more readily than the EDM surface, suggesting that the EDM process suppressed crack initiation to some extent.

Crack initiation↗
DOE OSTI2025

Operation of helium sub-atmospheric multistage cryogenic centrifugal compressor trains: Part 1 – Steady state modeling and speed ratio selection

Helium cryogenic systems which can provide cooling below the normal boiling point of helium (approximately 4.2 K) are often required by superconducting radio-frequency niobium resonators utilized in modern high-energy particle accelerators. Achieving temperatures below 4.2 K generally involves operating a cryogenic vessel with liquid helium under sub-atmospheric conditions, thereby lowering the saturation pressure and corresponding saturation temperature. Over the last several decades, multi-stage cryogenic centrifugal compressor trains (CC’s) have been operated efficiently and reliably within large-scale cryogenic systems to continuously evacuate helium vapor generated by a device within the vessel, maintaining sub-atmospheric conditions in the vessel while pressurizing the return vapor to above atmospheric conditions. Traditionally, these CC systems have been operated using empirically derived control philosophies and insight gathered from previous operational experience. Recent efforts at the Facility for Rare Isotope Beams (FRIB) have been aimed at the development of a theoretical basis to characterize the operation of multi-stage cryogenic centrifugal compressor train and utilizing predictive model results to generate control parameters. The objective of this research was identifying operational points which adequately balance cryogenic system efficiency, stability, and overall ease of operation. Furthermore, this manuscript provides an overview of the predictive model development, characterization of the FRIB cryogenic centrifugal compressors and implementation of the predicted performance results during steady-state system operation.

Compressor train control↗
DOE OSTI2025

Operation of helium sub-atmospheric multistage cryogenic centrifugal compressor trains: Part 2 – Transient modeling and pump-down path selection

Low-pressure conditions required for operation of helium cryogenic systems below the normal boiling point (i.e. 4.2 K) are established through a transient process, commonly referred to as ‘pump-down’. This process is defined as the transition from pressures above atmospheric conditions to the saturation pressure which corresponds to a specified operational temperature. The FRIB 2 K system consists of five cryogenic centrifugal compressors which are operated in series. Historically, the pump-down process path has been established through empirical methods and system operator experience. Investigation into the pump-down process at FRIB aimed to develop a pump-down methodology which relies on theoretical model predictions rather than empirically developed process paths. Ensuring stable operation during the pump-down process involved application of a centrifugal compressor performance prediction model, which is described in Part 1 of this paper. Compressor performance maps can be directly used to evaluate the stability of a selected pump-down path and anticipate the overall reliability of the selected path. In conjunction with the compressor performance maps, a system pressure model was developed to estimate the transient pressure response during the pump-down process. Lastly, an explicit equation was developed to establish a mass flow rate profile for the pump-down process. Implementation of the presented methodology (including the developed models) allows for the system operator to determine a continuous pump-down path which maintains compressor stability while conforming to overall system capabilities. Altogether, the methodology presented has resulted in simplification of transient pump-down operations and increased the reliability, stability and efficiency of the pump-down process.

Compressor train control↗
DOE OSTI2019

A novel means to flexibly operate a hybrid concentrated solar power plant and improve operation during non-ideal direct normal irradiation conditions

Hybridization of concentrated solar power (CSP) with other energy sources can drastically increase how much solar energy is harnessed and potentially expand the current geographical deployment of CSP installlations. In this study, a novel operation strategy referred to as flexible heat integration (FHI), is proposed and applied to a hybrid CSP-natural gas power plant. The proposed plant, modeled in Simulink, employs a solar central receiver (SCR) and dual-source gas boiler to drive a steam Rankine power cycle. FHI involves collecting and dispatching solar energy at modified temperatures during off-design direct normal irradiance (DNI). During low-grade (<100 W/m 2 ) and medium-grade (100–500 W/m 2 ) levels of DNI, molten salt is used for steam boiling and feedwater preheating, respectively, rather than superheating usually seen in SCR steam plants. Hybrid gas-firing supplies energy to bypassed systems. FHI is applied to a hybrid plant over the course of a day from each season for a plant located in Salt Lake City, Utah, an unconventional location due to off-design DNI variability. A spring day exhibiting variable DNI is used as the main case study to demonstrate the dynamics and robust operation under the FHI framework. The operation of the plant over the winter day shows the largest improvement in solar-to-electric (STE) efficiency whereas the summer day exhibits the smallest improvement. Monthly results follow a similar trend with FHI improving STE from 15.3% and 16.3% to 17.0% and 16.7% in January and July, respectively. Yearly results show FHI improving STE efficiency from 16.1% to 17.1% relative to standard hybrid operation. Altogether, the proposed concept expands the current understanding of energy management in hybrid SCR-natural power plants under non-ideal DNI conditions and locations that have lower DNI by applying FHI.

14 SOLAR ENERGY↗
DOE OSTI2022

Enhanced energy conversion efficiency promoted by cavitation in gasoline direct injection

High-pressure direct fuel injection plays the most crucial role in energy conversion and improving engine combustion efficiency and emission. The optimization of turbulent and multiphase fuel injection has focused on controlling hydrodynamic parameters such as injection pressure. While the thermodynamic influence is often considered in the flash boiling situation, we inquire into how gasoline-type fuel’s hydro- and thermodynamic properties impact the injection dynamics by fuel-temperature induced cavitation. The turbulent and cavitating flows emanating from the direct-injection nozzle is visualized by ultrafast x-ray imaging with an unprecedented spatiotemporal resolution. The ultrafast liquid-fuel dynamics are dominated by injection pressure as well as fuel temperature through cavitation, an important thermodynamic parameter but often difficult to control in engine combustion. With the most direct and quantitative measurement, we discovered that the near-nozzle fuel-jet dynamics can be perfectly scaled by a single dimensionless parameter, cavitation number, particularly sensitive to the fuel temperature, in a wide operation range. This universal scaling shows that cavitation can be harnessed to elevate the pneumatic-hydraulic to kinetic energy conversion efficiency, critical for promoting fuel atomization and engine combustion performance. This enhancement effect will have even more impact on engine combustion using alternative low-emission fuels with higher saturated vapor pressure.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2018

Polycyclic aromatic hydrocarbons bioaccessibility in seafood: Culinary practices effects on dietary exposure

Highlights: • PAHs bioaccessibility in seafood was assessed. • Raw shrimp present the lowest and dried seaweed the highest content of PAH. • There was a significant interaction effect between species and culinary treatment. This work aimed to determine the effect of culinary practices on the contamination level and bioaccessibility of polycyclic aromatic hydrocarbons (PAHs) in seafood. The selected farmed seafood species (marine shrimp, clams and seaweed) were commercially available in Portugal. The mean concentrations of PAHs varied between 0.23 and 51.8 µg kg{sup −1}, with the lowest value being observed in raw shrimp and the highest in dried seaweed. The number of compounds detected in seaweed and clams (naphthalene, acenaphthene, fluorene, phenanthrene, benzo(b)fluoranthene and benzo(j)fluoranthene) were higher than in shrimp (fluorene and pyrene). Among the PAHs measured, fluorene was the predominant one. There was a significant interaction effect between species and culinary treatment (p < 0.05), thus boiled and dried seaweed samples presented the lowest and the highest levels of fluorene (0.13 and 1.8 µg kg{sup −1}), respectively. The daily intake of PAHs decreased with bioaccessibility, varying from 22% for benzo(k)fluoranthene (in raw clam) to 84% for phenanthrene (in steamed clam). According to the potency equivalent concentrations, screening values and bioaccessibility of PAHs, the consumption of marine shrimp, clam and seaweed is considered as safe for consumers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Retrofitting stoves with forced jets of primary air improves speed, emissions, and efficiency: Evidence from six types of biomass cookstoves

Incorporating jets of forced air into biomass cookstove combustion has been shown to potentially decrease harmful emissions, leading to a variety of designs in recent years. These have shown mixed success in terms of real-world performance, usability, and durability. The Jet-Flame forced draft retrofit accessory was recently developed to implement forced jets of primary air at a low cost into a wide range of types of cookstoves using a small 1.5-W fan housed in a low-cost cast iron body to be inserted beneath the fuel bed of a biomass cooking fire. This research sought to quantify the potential efficiency and emissions performance impacts of the Jet-Flame when installed in six different types of biomass cookstoves (three open or shielded fires and three rocket stoves) versus the natural draft performance of each. The effect of the operating fan voltage was also measured. A series of tests following a modified ISO 19867-1:2018 protocol were performed in the laboratory using the Aprovecho Laboratory Emissions Measurement System (LEMS) equipped with additional oxygen and temperature sensors. Results for each stove carefully tended with a single layer of sticks showed that the global average PM 2.5 reduction with the Jet-Flame was 89 % relative to the natural draft cases, with larger relative improvements seen in the most rudimentary stoves. CO was reduced by a global average of 74 %, reaching tier 4 or 5 for all stoves. Thermal efficiency was also improved by 34 % when calculated without taking into account the energy content of the remaining char (or 21 % with char), illustrating the value of burning char to provide cooking energy rather than leaving it unburned in the combustion chamber as is common in many natural draft stoves. Time to boil was also reduced by 8 %. In addition, adjusting the voltage of the jet-flame assisted in modulating firepower, improving the usability of the stove. These results indicate a strong potential for the Jet-Flame to help reduce emissions and fuel consumption in a wide range of cookstove designs at a relatively low cost or need for changes in behavior, fuel, or cooking device. The unit also provides enhanced usability in terms of ease of startup, cooking speed, low PM emissions at high power, and burning char. Additional studies are needed to measure performance in the field and under a variety of operational conditions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Thermodynamic modeling of double azeotropy systems

Azeotropes are boiling liquid mixtures which have identical vapor and liquid compositions. Known as polyazeotropy, azeotropic mixtures may exhibit more than one azeotrope at a given temperature or pressure. While the thermodynamic condition for azeotrope formation in vapor-liquid equilibrium is well established, thermodynamic modeling of mixtures exhibiting polyazeotropy remains challenging and prior modeling studies often failed to satisfactorily correlate the polyazeotropic behavior of associating systems. Based on the association NRTL model, this study presents successful correlation and analysis of double azeotrope formation for three diverse systems: strongly associating methanol + diethylamine binary, weakly associating ammonia + pentafluoroethane binary, and non-associating benzene + hexafluorobenzene binary systems. Furthermore, these systems exhibit polyazeotropic behavior as the temperature increases and approaches their Bancroft points.

42 ENGINEERING↗