Search NASA⌕ Search

SEARCH · Search NASA

Results for “EVAPORATION”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Development of a CPU/GPU portable software library for Lagrangian–Eulerian simulations of liquid sprays

The Lagrangian–Eulerian method is widely used for simulations of fuel sprays in turbulent combustion because of the advantage of treating the spray droplets as discrete points. One challenge of the Lagrangian–Eulerian method is the intense computational requirement when tracking the large number of Lagrangian particles needed for high fidelity. We have developed a performance-portable library, Grit, to track the Lagrangian particles in parallel on central processing unit (CPU) and graphics processing unit (GPU) accelerated high performance computing (HPC) architectures. Grit is a C++ library which employs Message Passing Interface (MPI) for distributed memory parallelism and Kokkos programming model for on-node shared memory parallelism with performance portability across different architectures of GPUs and multi-core/manycore CPUs. The parallel algorithms, key parallel kernels, and their performances on the pre-exascale supercomputer, Summit, are presented. Grit is coupled with a direct numerical simulation (DNS) solver, S3D, for multiphase simulations. A conservative formulation has been developed and implemented in Grit for phase coupling with thermodynamic consistency. The formulation separates the conservation of mass, momentum and energy from the physical models to prevent accidental violation of conservation laws due to inconsistent models. The formulation also enforces consistent definitions of enthalpies of the fuel for both phases and the latent heat of evaporation. Finally, simulations of turbulent particle-laden flow and the evaporation of dilute turbulent spray jet are performed to verify the software implementation, and to demonstrate the scalability of Grit for large-scale multiphase simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

The Corrected Distortion model for Lagrangian spray simulation of transcritical fuel injection

In this work, we present a detailed implementation and validation of the droplet modeling framework proposed by Dahms and Oefelein (2016) into the engine commercial CFD software CONVERGE using the User Defined Function (UDF) interface. The model accounts for the nonlinear deformation and oscillation experienced by liquid spray droplet injected into high pressure and temperature. Lagrangian spray simulations of Engine Combustion Network (ECN) Spray A are performed. Model validation against standard experimental measurements of liquid velocity, vapor mixture fraction is conducted. To perform more rigorous model validation, new experimental measurements based on Diffused Back Illumination (DBI) are introduced. The new measurements are processed for Projected Liquid Volume (PLV), which offers as close as possible one-to-one model validation for liquid penetration while offering new insights into the spray physics. Comparison with a One-D model based on adiabatic mixing theory by Siebers (1999) and Desantes et al. (2007) are also conducted. Through these model validation exercises, it is shown that the new framework improves liquid-phase penetration predictions, following a tendency for enhanced evaporation, compared to the standard approach for both Reynolds Average Navier Stokes (RANS) and Large Eddy Simulation (LES). Additionally, at the liquid length, maximum mixture fraction values predicted by the new approach are in good agreement those of an adiabatic mixing model. Qualitative analysis of the spray behaviors during the early stage of the injection process reveals that the proposed framework predicts significant increase in droplet evaporation rate with lower drop drag compared to the current standard approach.

42 ENGINEERING↗
DOE OSTI2025

Free-spray characteristics and spray-wall interactions of methanol on a gasoline direct injector under flash-boiling and non-flash-boiling conditions

Methanol is considered a promising alternative fuel for internal combustion engines (ICEs) due to its high-octane number, fast laminar flame speed, and elevated latent heat of vaporization, all of which support higher compression ratios and improved thermal efficiency. However, its substantial latent heat of vaporization also poses cold-start challenges, such as misfire and fuel film deposition. This study aims to investigate methanol spray morphology and spray-wall interaction using the Spray M injector from the Engine Combustion Network within a constant-pressure flow vessel. A recently developed unified numerical framework capable of modeling both flash and non-flash boiling sprays is validated against experimental liquid volume fraction data acquired via 3-D computed tomography. Here, the results reveal that flash boiling significantly alters the spray morphology, leading to smaller droplets and spray collapse due to enhanced air-entrainment-induced turbulence. Quantitative agreement between experiments and simulations confirms this behavior. Coupled 0-D equilibrium and 3-D computational fluid dynamics analyses show that flash boiling accelerates evaporation and reduces fuel residence time, while non-flash conditions maintain a persistent liquid core more susceptible to wall wetting. Wall temperature diagnostics reveal that spray collapse alters heat transfer patterns by shifting cooling effects. Mixture fraction analysis indicates that evaporation is primarily governed by shear-layer turbulence, though deviations from adiabatic equilibrium mixing emerge under low-turbulence conditions. Finally, increasing fuel, ambient, and wall temperatures reduces wall wetting and film thickness, mitigating cold-start risks. These findings enhance the understanding of methanol sprays’ behavior and support its adoption as a viable, alternative fuel for ICEs.

Engine Combustion Network↗
DOE OSTI2021

Low global warming potential (GWP) refrigerant supermarket refrigeration system modeling and its application

As an environmentally friendly low global warming potential (GWP) refrigerant, Carbon dioxide (CO 2 ) has continuously gained popularity and research attention as alternative refrigerant for supermarket refrigeration system. In this paper, to fulfill the increasing need of accurate Low-GWP supermarket refrigeration models for development of supervisory level control and optimization strategies, a high fidelity model is developed for CO 2 transcritical supermarket refrigeration system which includes compressor rack of low temperature (LT) compressors and medium temperature (MT) compressors, air-cooled gas cooler, evaporator, expansion valves and other auxiliary equipment. A resistance-capacity model structure is proposed to simulate the display cases. Semi-thermodynamic models are proposed to estimate reciprocating compressors volumetric efficiency and power consumption. Furthermore the zone modeling approach is used for evaporator simulation, and air-cooled gas cooler is modeled with distributed modeling method. The expansion valve simulation is based on orifice flow model. To calibrate these models, both manufacture performance data and experimental data are used. The experiments are conducted with a full instrumental CO 2 supermarket refrigeration system installed in Oak Ridge National Lab Flexible Research Platform (FRP). The simulation model can predict the system performance, including power consumption, cooling capacity, mass flow rate, temperature, and pressure, with high accuracy (within ±4%) compared to experimental data. In addition, this developed model has been used to create the system optimum high side pressure for high side expansion valve control, and to generate wide operating range simulation data for developing the batter-equivalent commercial refrigeration system model which can be used in grid interactive control development.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Grey-box Fault Models and Applications for Low Carbon Emission CO2 Refrigeration System

CO2 refrigeration systems have attracted more attentions in recent years because of their zero-carbon emission advantages compared with traditional refrigerants. These systems are widely used in certain commercial buildings such as supermarkets. However, very limited energy studies have been done for such refrigeration systems under faults. Furthermore, this study investigated five common faults for supermarket transcritical CO2 refrigeration systems with display cases. The following major tasks were implemented for this study. (1) Five fault models (gray-box format) regarding the power consumption and supply air temperature were proposed for low- and high-temperature display cases, respectively. The models cover: ice accumulation on evaporator coil, evaporator fan partial failure, expansion valve failure, display door open, and condenser blockage. (2) These fault models were calibrated with field tests, and the modeling accuracies were in good agreement with measurement datasets. (3) The proposed fault models demonstrated more than 90% of fault detection for Fault Detection and Diagnostics (FDD) purposes for both field measurement and simulated data.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Computational study of the ECN spray C via one-way coupling of internal nozzle flow and ensuing spray

Here, in this study, computational fluid dynamics simulations of the Engine Combustion Network Spray C injector were performed to investigate the effect of the internal nozzle flow on the development of the ensuing spray in automotive fuel injectors. A set of simulation best practices was first developed to achieve an accurate representation of the internal nozzle flow. Detailed, spatiotemporally defined information was extracted at the injector’s orifice exit and stored in maps that were subsequently employed to initialize a Lagrangian spray by means of a static, one-way coupling (OWC) approach. To highlight the impact of the in-nozzle flow on the spray, the OWC approach was compared with the conventional rate-of-injection (ROI) approach, for which the spray parcels are commonly initialized using a blob injection model. The results indicated that, using the ROI approach, considerable evaporation was observed within the plume in the near-nozzle region. On the other hand, the OWC approach showed evidence of evaporation farther downstream and at the plume periphery. The different behavior observed with the two approaches was mostly due to substantial differences in fuel mass distribution. The liquid fuel concentration predicted by the OWC approach matched well with X-ray tomography measurements of projected fuel mass per unit volume, in terms of both magnitude and distribution. In contrast, an unphysical distribution of fuel mass characterized by an extremely low liquid concentration was predicted by the ROI approach. In the far-field, the effect of the in-nozzle flow was found to be weaker as the spray penetrated and interacted with the ambient gas. In this region, the OWC and ROI approaches provided similar predictions of vapor penetration, spray morphology, and mixing-related characteristics.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Effect of laser scanning speed on the microstructure, phase transformation and mechanical property of NiTi alloys fabricated by $\mathrm{LPBF}$

This study investigated the effects of laser scanning speed on the microstructure, phase transformation and properties of NiTi alloys fabricated by laser powder bed fusion (LPBF). In this study, the contributions of metallurgical factors under different scanning speeds, such as Ni evaporation, Ni4Ti3 precipitation, dislocations and internal stress, to the transformation temperature and transformation latent heat were clarified through specially designed experiments. Ni evaporation is found to have the most profound effect, followed by precipitation. Increasing scanning speed is found to reduce Ni loss, thus cause less increase in the transformation temperature and transformation heat of the LPBF-NiTi alloys. Increasing scanning speed also increases the microstructure non-uniformity and thus widens the transformation temperature interval. The orientations of residual stress exhibit strong crystallographic stiffness dependence. The LPBF-NiTi alloys with different scanning speeds all exhibited high strains (>13.4%) and excellent shape memory effect. A LPBF-NiTi honeycomb structure exhibited 96% shape recovery rate after a 60% pre-compressive deformation. Besides, there is an optimum scanning speed for minimum porosity and smallest average pore size. However, the pore structure is found to have weak influence on the tensile behaviour of the LPBF-NiTi alloys, possibly due to the high defect tolerance of the martensitic transformation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Open-air spray deposition of PCBM/BCP electron transport layer for inverted perovskite solar cells

A [6,6]-phenyl C61 butyric acid methyl ester (PCBM) and bathocuproine (BCP) electron transport layer (ETL) is spray deposited in open air directly on top of a perovskite at linear speeds of 9 m/min. The PCBM precursor ink contains a binary mixture of 1:1 chlorobenzene:chloroform, which optimizes spray wettability on the perovskite surface and allows quick solvent evaporation. A near-infrared heating module additionally provides a flash cure (<5 s) for the formation of smooth, large-area PCBM films (∼20 cm 2 ). A BCP solution in isopropanol is subsequently sprayed to form an ultrathin (<5 nm) film and characterized with a suite of high-resolution metrologies. The spray-deposition processing and near-infrared treatment do not damage the underlying perovskite. Inverted architecture devices containing the sprayed ETL achieve a champion efficiency of 20.3% and demonstrate stable performance without additional interlayers or surface treatments. Here, the technoeconomic cost of the open-air spray process is compared against traditional vacuum-based evaporation, resulting in a decrease in manufacturing costs by 26%.

14 SOLAR ENERGY↗
DOE OSTI2021

Conducting thermal energy to the membrane/water interface for the enhanced desalination of hypersaline brines using membrane distillation

Membrane distillation (MD) is a membrane-based thermal desalination process capable of treating hypersaline brines. Standard MD systems rely on preheating the feed to drive the desalination process. However, relying on the feed to carry thermal energy is limited by a decline of the thermal driving force as the water moves across the membrane, and temperature polarization. In contrast, supplying heat directly into the feed channel, either through the membrane or other channel surfaces, has the potential of minimizing temperature polarization, increasing single-pass water recoveries, and decreasing the number of heat exchangers in the system. When solar thermal energy can be utilized, particularly if the solar heat is optimally delivered to enhance water evaporation and process performance, MD processes can potentially be improved in terms of energy efficiency, environmental sustainability, or operating costs. Here we describe an MD process using layered composite membranes that include a high-thermal-conductivity layer for supplying heat directly to the membrane-water interface and the flow channel. Here, the MD system showed stable performance with water flux up to 9 L/m 2 /hr, and salt rejection >99.9% over hours of desalinating hypersaline feed (100 g/L NaCl). In addition to bench-scale system, we developed a computational fluid dynamics model that successfully described the transport phenomena in the system.

42 ENGINEERING↗
DOE OSTI2022

Numerical simulations of membrane distillation systems with actively heated membranes

Membrane distillation (MD) is a thermal desalination process that is gaining attention for treating hypersaline brines. One recent approach uses composite membranes with a thermally conductive layer that delivers heat to the membrane–feed interface, where it drives evaporation. Though this increases single-pass recovery, it comes with the challenge of promoting lateral heat conduction through the thin membrane. Herein, we develop a 3D, computational fluid dynamics (CFD) model that simulates conjugate heat, mass, and momentum transport in the feed channel and composite membrane. We then use the CFD to verify a simpler numerical model that approximates the feed velocity field analytically. We validate the numerical model experimentally, and use it to investigate the impacts of the conductive layer thickness, feed channel geometry, and operating conditions on temperature and concentration polarization, permeate production, and specific energy consumption. Overall, we find that lateral heating increases permeate production at the expense of increased concentration polarization. In extreme cases, the concentration increases more than four-fold along the membrane surface. Furthermore, we show however, that the feed flow rate and conductive layer thickness can be tailored to mitigate concentration polarization, for only a small reduction in permeate production.

42 ENGINEERING↗
DOE OSTI2024

Liquid lithium divertor analysis using coupled plasma material interaction model

A liquid lithium divertor can improve performance of future fusion devices by creating efficient power exhaust and improving the energy confinement via pumping of the hydrogen isotopes. In addition, significantly higher heat fluxes can be handled if controlled vapor shielding is used to redistribute the divertor heat flux over a wider area. Design and optimization of such a system calls for an analysis model which includes a strong two-way coupling between the plasma and divertor material. The incoming plasma heat and particle flux will affect the divertor surface temperature, which is a defining factor of the lithium evaporative and sputtered flux going into the plasma. Results of the coupled model based on the plasma edge code SOLPS-ITER and the computational fluid dynamics (CFD) code ANSYS-CFX will be presented for different configurations. An analytical slab flow model is used as a heat transfer boundary condition for SOLPS, defining particle flux from the wall via calculation of the surface temperature. At the final step, results of the SOLPS analysis are verified using a 3D CFD magnetohydrodynamics (MHD) analysis which uses heat and particle flux from SOLPS as a boundary condition. In addition to plasma heat flux, both analytical and CFD temperature models include several plasma material interaction effects, such as lithium evaporation, condensation and sputtering based on deuterium target flux. New adatom sputtering model based on the available experimental data is presented. Analytical model is expanded to include free surface axisymmetric configurations. Results of parametric studies of the divertor configurations with different lithium inlet temperature and velocity will be presented leading to the optimal design resulting in the lowest possible lithium contamination in the core.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Electrical injection and transport in Teflon-diluted hole transport materials

Diluting small molecule organic semiconductor hole transport materials with Teflon AF (TAF) dramatically increases their thermal/morphological stability while counterintuitively also increasing the current density in hole-only diodes. Here, we explore the origin of this current enhancement in co-evaporated blends of TAF and N,N'-Di(1-naphthyl)-N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine (NPD) and find that it results from improved hole injection and not from a mobility enhancement due to semiconductor dilution effects. Whereas electroabsorption measurements indicate that an interface dipole shift of up to 0.5 eV (depending on TAF concentration) aides hole injection at the indium-tin-oxide anode, time-of-flight and temperature-dependent current-voltage measurements show that the mobility of 25 vol% TAF:NPD blends decreases by roughly an order of magnitude relative to neat NPD despite having slightly lower energetic disorder. For comparison, diluting with 25 vol% high density polyethylene achieves a similar reduction in energetic disorder but only decreases the mobility by a factor of two. Furthermore, these results highlight the tradeoff between reducing energetic disorder and frustrating percolation in diluted organic semiconductors, and represent a step toward thermally-evaporated polymer-small molecule composites that maintain high mobility while offering improved morphological stability and lower refractive index for organic light emitting diodes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

A mathematical design framework for membrane pre-concentration in energy-efficient recovery of fermentation products

Due to the dilute nature of products manufactured via fermentation and cell-free bioprocessing, dewatering is a common unit operation in downstream processing (DSP) for bioproduct recovery, but it is typically energy intensive. To improve DSP energy efficiency for bio-based small molecules, integrating high-pressure membrane pre-concentration is a promising process option. However, this approach is typically constrained by a tradeoff between concentration factor (CF) and product recovery (PR), namely increasing the CF typically results in greater product loss, and vice versa. Here we developed a model that enables process design guidelines to: (i) identify scenarios in which the additional energy consumption and product loss from membrane pre-concentration are justified for use in DSP, and (ii) determine the optimal CF that minimizes process specific energy consumption. We compared the energy consumption of high-pressure membrane-integrated processes to evaporation-only processes and applied the model to an experimental case study for the separation and purification of butyric acid from Clostridium tyrobutyricum fermentation using an in situ product recovery (ISPR) process. The model estimated that integrating a tangential-flow reverse osmosis (RO) pre-concentration unit could reduce process energy consumption up to 45%. The use of advanced membrane pre-concentration technologies, such as negative rejection membranes and organic solvent reverse osmosis (OSRO), have the potential to further reduce the overall process specific energy consumption up to 96%, projected based on modeling. Overall, membrane pre-concentration, especially when strategically integrated prior to an evaporation step with optimized process conditions, holds significant potential for improving DSP energy efficiency, particularly in applications requiring substantial solvent removal for product recovery from dilute mixtures.

09 BIOMASS FUELS↗
DOE OSTI2020

Innovative high-temperature ammonium bifluoride fusion and rapid analysis of elements with nuclear forensic value

High-temperature ammonium bifluoride (ABF) fusions were evaluated for potential use in rapid dissolution of post-detonation nuclear debris. The ABF fusion was carried out in a Pt crucible which allowed evaluation of higher fusion and evaporation temperatures. The high-temperature ABF fusion dissolution method was evaluated using geological reference materials: USGS QLO-1a Quartz Latite, USGS SDC-1 Mica Schist, and NIST 278 Obsidian Rock. The optimized dissolution method involved a 10 min fusion at 540 °C, a 5 min reflux in 8 M HNO 3 , an evaporation at 300 °C and final dilution into 45 mL of 2% (v/v) HNO3. The final solution was filtered after heating at 105 °C using a hotblock. This dissolution method was simple, requiring only a hotplate or hotblock, filtered samples were available for ICP-MS analysis or radiochemical separation within 150 min, and was found to have high (>90%) recovery for many isotopes of interest in nuclear forensics applications. U and Pu in the dissolved material was separated using TEVA and UTEVA extraction chromatography columns, a process which resulted in >90% recovery. An irradiated U tracer was spiked into the material prior to dissolution and analyzed for recovery of major fission products and 239Np. The monitored radionuclides had recoveries of greater than 90%, except for the volatile radioiodine isotopes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Evaluation and optimization of flow boiling frictional pressure drop correlations using the data from traditional and next-generation refrigerants in a micro-fin tube

This study presents an experimental evaluation and optimization of flow boiling frictional pressure drop correlations for conventional and next-generation refrigerants in a horizontal micro-fin tube, with particular emphasis on the newly emerging refrigerant blends R-454C and R-455A, for which pressure-drop data in enhanced tubes remain limited. Experiments were conducted with R-410A, R-454C, R-455A, R-134a, R-1234yf, and R-1234ze(E) in a copper micro-fin tube with an inner diameter of 8.468 mm, over mass fluxes ranging from 100 to 300 kg/(m²·s) depending on the refrigerant, and evaporation temperatures of 7, 12, and 14 °C. Frictional pressure gradients were determined from measured total pressure drops after subtracting acceleration pressure drop, and the resulting database was used to assess four existing models: Kuo and Wang (1996), Cavallini et al. (1997), Goto et al. (2001), and Diani et al. (2014). The measured frictional pressure gradient increased with vapor quality and mass flux for all refrigerants and increased further at lower evaporation temperatures, with the overall trend strongly related to liquid viscosity. Among the four correlations, the Goto et al. (2001) model provided the best overall agreement with the measured data before optimization. To further improve prediction accuracy, the Kuo and Wang (1996) and Goto et al. (2001) models were optimized using the complete experimental database. After optimization, both models reduced the overall mean absolute deviation to below 15%, while the optimized Goto et al. (2001) model maintained the best and most consistent overall performance. The results provide new pressure-drop data for next-generation refrigerants and demonstrate that parameter optimization can significantly enhance the applicability of existing micro-fin-tube correlations.

Hu, Yifeng [ORNL] (ORCID:0000000242875185)↗
DOE OSTI2022

Describing the Influence of Ball-milling on the Amorphization of Flubendazole Using the PDF and RMC Methods with X-ray Powder Diffraction Data

Flubendazole (FBZ) is a poorly water-soluble drug, and different methodologies have been proposed to improve its oral bioavailability. Obtaining the amorphous drug phase is an alternative to improve its water solubility. Several techniques for drug amorphization, such as spray drying, lyophilization, melt quenching, solvent-evaporation, and ball milling, can yield various types of structural disorder and possibly render variations in physicochemical properties. Herein, we focus on evaluating the influence of the ball-milling process on the amorphization of FBZ. The characterization of the average global and local structures before, during, and after the milling process is described by sequential Rietveld refinements, pair distribution function analysis, and the Reverse Monte Carlo method. In conclusion, we show that preserving the local structure (nearest molecules) can be responsible for avoiding the fast structure recrystallization commonly observed when using the solvent-evaporation process for the studied drug.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Orientational Order in Spin-Cast Lead-Iodide Perovskite Nanocrystal Solids

Combined synthetic control over size and composition renders colloidal lead-halide perovskite nanocrystals a tunable platform for high-efficiency optoelectronic applications. However, the properties and operational stability of devices based on nanocrystal solids are often dictated by the method of the evaporation-induced assembly. Ubiquitous slow evaporation techniques can produce highly ordered nanocrystal domains but limit the prospects for scalable fabrication of continuous device layers, calling for investigation of approaches to more rapidly form ordered perovskite nanocrystal solids. Here, we study orientationally ordered lead-iodide perovskite nanocrystal solids prepared by conventional spin coating with molecular additives (excess ligand) to enhance ordering within the arrays. In situ X-ray scattering measurements reveal that orientational ordering occurs rapidly upon solvent removal during spin coating and can be further enhanced by manipulating the spin speed. We vary the additive ligand length and explore trade-offs between ordering and layered perovskite impurity formation. Arrays treated with the intermediate-length octylamine ligand exhibit increased in-plane electronic conductivity, suggesting orientational ordering and internanocrystal electronic coupling can be enhanced by the treatment. In conclusion, these results highlight the prospects of establishing long-range order in lead-halide perovskite nanocrystal solids by using simple and fast coating methods.

14 SOLAR ENERGY↗