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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 181 records · Page 10

Anharmonic Eigenvectors and Acoustic Phonon Disappearance in Quantum Paraelectric SrTiO 3

Pronounced anomalies in the SrTiO 3 dynamical structure factor, S(Q,E), including the disappearance of acoustic phonon branches at low temperatures, were uncovered with inelastic neutron scattering (INS) and simulations. The striking effect reflects anharmonic couplings between acoustic and optic phonons and the incipient ferroelectric instability near the quantum critical point. It is rationalized using a first-principles renormalized anharmonic phonon approach, pointing to nonlinear Ti-O hybridization causing unusual changes in real-space phonon eigenvectors, frequencies, group velocities, and scattering phase space. Lastly, our method is general and establishes how T dependences beyond the harmonic regime, assessed by INS mapping of large reciprocal-space volumes, provide real-space insights into anharmonic atomic dynamics near phase transitions.

36 MATERIALS SCIENCE↗

Falling particle impact erosion testing for particle based CSP systems

CSP systems are currently being examined as an effective method for using solar energy to generate electricity. While much of this research has been conducted using molten salt as the heat transfer medium, in recent years, solid particles have been posited as a cheaper and more energy efficient heat transfer medium for use in CSP systems. Many researchers have looked into the effectiveness of solid particles as a heat transfer medium. However, a concern with the use of particles is that the falling particles will impact various components within the CSP system, such as the hopper, the heat exchanger, and the insulating material, resulting in surface erosion and damage. With repeated impacts from falling particles, material from the surfaces under impact is removed. The degree of erosion depends on whether the substrate is made of brittle or ductile material. Furthermore, factors such as particle shape, size, hardness, concentration, impact angle, particle velocity, and substrate hardness will contribute to the erosion process and determine how much and how quickly erosion will takes place in a system. Three types of erosion will be observed simultaneously: impact erosion from particle impact on receiver, particle storage, and heat exchanger walls, abrasion erosion from particle sliding motion along walls, and attrition erosion as the particles breakdown from particle-to-particle contact and particle-to-wall interactions. It is imperative to understand each of these erosions individually for a more comprehensive understanding and prediction of CSP system durability. In this work, we developed an experimental test setup capable of measuring impact erosion at conditions relevant to 1MW CSP plant. Subsequently, Impact erosion measurements were performed for three different candidate substrate materials at low particle velocities using HSP 40/70 ceramic particles.

14 SOLAR ENERGY↗

Thermophysical Property Measurements of HTM and CM (Final Technical Report)

The goal of this project is to gather thermophysical property data – specifically, thermal conductivity, thermal diffusivity, and specific heat – of heat transfer media (HTMs) and containment materials (CMs) used in Topic Area 1 and 2A at high temperatures (>700°C). This goal was met by completing objectives such as qualifying high temperature measurement techniques, defining allowable uncertainty metrics, reporting properties in a public database, and providing ongoing support for prioritized materials. These are described in detail across three budget periods

36 MATERIALS SCIENCE↗

Integrated Radio Frequency and Ultrasonics with Conventional Processes for Efficient Water Removal in Pulp and Paper and Other Biomaterial Applications

Conventional drying processes used in the pulp and paper industry primarily involve lengthy, surface based, multi-cylinder conductive and convective drying with low thermal efficiencies and often use some fossil-based energy. Integration of cross cutting, electrically-powered, volumetric drying process intensification technologies based on Radio Frequency (RF) and acoustics (Ultrasonics) (US) will directly impart energy into the biomaterials resulting in improved energy efficiency and throughput. Integration of RFUS-based drying technology is expected to enable U.S. manufacturing industry to reduce capital and operating costs, energy consumption, and carbon emissions while increasing energy efficiency and throughput, improving product quality and sustainability, and helping preserve U.S. manufacturing jobs. The hybrid drying approach incorporates directed radio frequency (RF) and ultrasonic (US) energy with conventional conduction, diffusion and convective heat and mass transfer overcoming the limitations of the conventional drying processes and that meets/exceeds the minimum goals. We have shown the effective removal of free and bound water in the biomaterials by leveraging the synergies of RF and US technologies integrated with conventional manufacturing processes.

42 ENGINEERING↗

Quantifying Thermal Output of Energetic Materials (LDRD Final Report)

We present the results of an LDRD project, funded by the Nuclear Deterrence IA, to develop capabilities for quantitative assessment of pyrotechnic thermal output. The thermal battery igniter is used as an exemplar system. Experimental methodologies for thermal output evaluation are demonstrated here, which can help designers and engineers better specify pyrotechnic components , provide thermal output guidelines for new formulations, and generate new metrics for assessing component performance and margin given a known failure condition. A heat-transfer analysis confirms that the dominant mode of energy transfer from the pyrotechnic output plume to the heat pellet is conduction via deposition of hot titanium particles. A simple lumped-parameter model of titanium particle heat transfer and a detailed multi-phase model of deposition heat transfer are discussed. Pyrotechnic function, as defined by "go/no-go" standoff testing of a heat pellet, is correlated with experimentally measured igniter plume temperature, titanium metal particle temperature, and energy deposition. Three high-speed thermal diagnostics were developed for this task. A three-color imaging pyrometer, acquiring 100k images per second on three color channels, is deployed for measurement of titanium particle temperatures. Complimentary measurements of the overall igniter plume emission ("color") temperature were conducted using a transmission-grating spectrograph in line-imaging mode. Heat flux and energy deposition to a cold wall at the heat-pellet location were estimated using an eroding thermocouple probe, with a frequency response of ~5 kHz. Ultimate "go/no-go" function in the igniter/heat-pellet system was correlated with quantitative thermal metrics, in particular surface energy deposition and plume color temperature. Titanium metal-particle and plume color temperatures both experience an upper bound approximated by the 3245-K boiling point of TiO 2 . Average metal-particle temperatures remained nearly constant for all standoff distances at T = 2850 K, ± 300 K, while plume color temperature and heat flux decay with standoff—suggesting that heat-pellet failure results from a drop in metal-particle flux and not particle temperature. At 50% likelihood of heat-pellet failure, peak time-resolved plume color temperatures drop well below TiO 2 boiling to ~2000 - 2200 K, near the TiO 2 melting point. Estimates of peak heat flux decline from up to 1 GW/m 2 for near-field standoffs to below 320 MW/m 2 at 50% failure likelihood.

36 MATERIALS SCIENCE↗

Anisotropic thermal-conductivity degradation in the phase-field method accounting for crack directionality

Dynamic loads applied to metals may lead to brittle or ductile fracture depending on the imposed strain rates, material properties, and specimen geometry. With an increase in the applied velocity, brittle to ductile failure mode transition may also be observed. Furthermore, at high strain rates, ductile fracture may be preceded by shear bands, which are narrow bands of intense plastic deformation, typically accompanied by a significant rise in temperature. Reliable models are needed to predict the response of metals subject to dynamic loads. In particular, capturing the interplay between heat conduction and crack propagation using the phase-field fracture method is still an open research field. To accurately capture the heat transfer physics across crack surfaces, damage models degrading thermal-conductivity are necessary. While isotropic thermal-conductivity degradation models were proposed, they may lead to errors as they are indifferent to crack directionality. In our current work, a new anisotropic approach is proposed in which thermal-conductivity, which depends on the phase-field gradient, is degraded solely across the crack. Here, it is shown that this approach improves the near-field approximation of temperature and heat flux compared with isotropic degradation, when taking the discontinuous crack solutions as reference. Additionally, the anisotropic degradation approach is implemented in a unified dynamic fracture model and a couple of examples demonstrate the viability of this approach.

42 ENGINEERING↗

Investigation of Point-Contact Strategies for CFD Simulations of Pebble-Bed Reactor Cores

This study numerically investigated the effects of various contact strategies on the thermal hydraulic behavior within a structured bed of 100 explicitly modeled pebbles. Four contact strategies and two thermal hydraulic conditions were considered. The strategies to avoid contact singularities include decreasing the pebble diameter, increasing the pebble diameter, bridging the pebble surfaces near the contact region, and capping the pebble surfaces near the contact region. One strategy, Strategy 3a, which involves bridging with a cylinder equal to 10% of the pebble diameter, was selected as the baseline strategy because it addressed the contact singularity while minimizing the geometric changes that affect the bed porosity. The two thermal hydraulic conditions were full-power operation (Case 1) and pressurized loss of forced cooling or PLOFC (Case 2). Simulations of the conjugate heat transfer within the structured bed were performed using the Reynolds-averaged Navier–Stokes approach with the realizable k-ϵ turbulence model and two-layer all y + wall treatment. The thermal-fluid quantities of interest were compared between the contact strategies for each case. In Case 1, the hydraulic behavior was sensitive to the contact strategy, with large differences in the pressure drop (30%) and volume-average velocity (4%). The thermal behavior was not sensitive, with less than a 0.5% difference across the strategies. To better understand the separate effects of each heat transfer mode, Case 2 was divided into the following subcases: conduction (Case 2a); conduction/radiation (Case 2b); and conduction/radiation/convection (Case 2c). Case 2a represents an early phase of the PLOFC transient. Case 2b represents an intermediate phase of the PLOFC transient, with the pebble temperatures sufficiently high for the radiative heat transfer to be non-negligible. Case 2c represents a late phase of the PLOFC transient after the establishment of the natural circulation of the heat transfer fluid. For Case 2, large differences in the contact strategy were observed only in Case 2a with only conduction. The difference in the maximum pebble temperature was 23% in Case 2a, 2% in Case 2b, and 0.3% in Case 2c.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Differentiating Thermal Conductances at Semiconductor Nanocrystal/Ligand and Ligand/Solvent Interfaces in Colloidal Suspensions

Infrared-pump, electronic-probe (IPEP) spectroscopy is used to measure heat flow into and out of CdSe nanocrystals suspended in an organic solvent, where the surface ligands are initially excited with an infrared pump pulse. Subsequently, the heat is transferred from the excited ligands to the nanocrystals and in parallel to the solvent. Parallel heat transfer in opposite directions uniquely enables us to differentiate the thermal conductances at the nanocrystal/ligand and ligand/solvent interfaces. Using a novel solution to the heat diffusion equation, we fit the IPEP data to find that the nanocrystal/ligand conductances range from 88 to 135 MW m –2 K –1 and are approximately 1 order of magnitude higher than the ligand/solvent conductances, which range from 7 to 26 MW m –2 K –1 . Transient nonequilibrium molecular dynamics (MD) simulations of nanocrystal suspensions agree with IPEP data and show that ligands bound to the nanocrystal by bidentate bonds have more than twice the per-ligand conductance as those bound by monodentate bonds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Prediction of Probabilistic Shock Initiation Thresholds of Energetic Materials Through Evolution of Thermal-Mechanical Dissipation and Reactive Heating

The ignition threshold of an energetic material (EM) quantifies the macroscopic conditions for the onset of self-sustaining chemical reactions. The threshold is an important theoretical and practical measure of material attributes that relate to safety and reliability. Historically, the thresholds are measured experimentally. In this work, we present a new Lagrangian computational framework for establishing the probabilistic ignition thresholds of heterogeneous EM out of the evolutions of coupled mechanical-thermal-chemical processes using mesoscale simulations. Furthermore, the simulations explicitly account for microstructural heterogeneities, constituent properties, and interfacial processes and capture processes responsible for the development of material damage and the formation of hotspots in which chemical reactions initiate. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, heat conduction, reactive chemical heating, gaseous product generation, and convective heat transfer. To determine the ignition threshold, the minimum macroscopic loading required to achieve self-sustaining chemical reactions with a rate of reactive heat generation exceeding the rate of heat loss due to conduction and other dissipative mechanisms is determined. Probabilistic quantification of the processes and the thresholds are obtained via the use of statistically equivalent microstructure sample sets (SEMSS). The predictions are in agreement with available experimental data.

36 MATERIALS SCIENCE↗

The Onset of Nucleate Boiling Prediction in a Mini Channel with the Eulerian Multiphase Flow

The prediction of boiling incipience is a critical issue for a reactor. Vapor lock causes operating instability and undesirable temperature rise, especially for small channels. This study uses the Eulerian multiphase flow boiling model to predict the onset of nucleate boiling in a millimeter scale rectangular channel. Two wall boiling models, namely the RPI (Rensselaer Polytechnic Institute) and the non-equilibrium sub cooled model are applied. Computational fluid dynamics is employed for this study to investigate the impact of operating conditions like liquid flow rate, operating pressure, heat flux, velocity profile, turbulence model, and inlet liquid temperature. Here, the effect of fundamental boiling parameters on the surface wall temperature and vapor volume fraction is also studied. The parameters under consideration are the bubble departure diameter, bubble departure frequency, nucleate site density, quenching time period, and interface heat transfer coefficients. A series of CFD calculations is conducted by varying the considered variables systematically in a wide range of flow conditions covering laminar, transition, and turbulent flows. The sub-component heat fluxes like the liquid convective, the vapor convective, the evaporative, and the quenching terms are monitored to infer the boiling dynamics in the transition region from the single-phase flow to the nucleate boiling zone. It is found that the CFD approach to detecting the boiling incipience point agrees reasonably with available experimental data. However, its limitations, like inaccuracy for lower flow rates and early transition to boiling flow, are also noticed due to the nature of the considered RPI model.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Two-layer transient heat transfer using impulse response methods

Solutions to the inverse heat conduction problem (IHCP) are methods that can be used to quantify surface heat flux in multi-layer materials for components in which there are limited subsurface (internal) temperature measurements, such as coated components. A critical consideration is to capture high frequency fluctuations using a practical heat flux sensor. To that end, this paper highlights key parameters for calculating accurate surface heat transfer. Specifically, this research extends the available solutions to the IHCP for multi-substrate structures through an impulse response methodology. The sensitivity of the impulse method was quantified with respect to practical measurements. Further, when compared to the inverse case, the impulse method resulted in lower errors when calculating surface heat flux over a range of conditions. Overall, this work provides a foundation for deducing heat flux from a subsurface heat flux sensor while maintaining a high-frequency response.

42 ENGINEERING↗

Optical spectroscopy of molten fluorides: Methods, electronic and vibrational data, structural interpretation, and relevance to radiative heat transfer

In this study, to help address the need for predicting radiative heat transfer (RHT) behavior of molten salts, we conducted a comprehensive review of methods and data from optical spectroscopic measurements on molten fluoride salts. Transmittance, reflectance, and trans-reflectance experimental methods are discussed, along with the corresponding data reduction methodology and the limitations of each technique. Optical spectroscopy is a convenient indirect probe for changes in structural parameters with temperature and composition. Electronic and vibrational absorption data for transition-metal, lanthanide, and actinide solutes and vibrational absorption data for alkali and alkaline earth fluoride solvents are compiled, and the corresponding structural interpretation is discussed and compared with other experimental and theoretical work. We find that solvent and solute vibrational absorption can be significant in the mid-infrared, resulting in near-infrared edges of significance to RHT. Extrapolation and averaging of existing edge data leads to estimated gray absorption coefficient values at 700 °C of 546 m —1 for FLiBe and 276 m —1 for FLiNaK, both within the range of 1 – 6000 m —1 identified to be of engineering relevance for radiative heat transfer analysis.

36 MATERIALS SCIENCE↗

Enhancing The Thermal Resistivity of Rigid Polyisocyanurate Foam Insulation

The development of rigid polyurethane foam insulation has garnered considerable attention because of its promising applications in the buildings and construction industry. Its low thermal conductivity makes it an attractive choice for improving energy performance in buildings. Current Rigid Polyurethane foams have thermal resistivity (R-value/in.) 5.5 to 6.5 h.ft2F/BTU/in.· that could be further improved by diminishing the heat transfer through the foam matrix. Nevertheless, minimizing both conduction (through gas and solid) and radiation simultaneously in porous solids is a significant challenge due to the trade-off between these two mechanisms. This study focuses on improving the R-value of the insulation foams via several strategies: such as type and the amount of the surfactants, blowing agent content and precooling and premixing polyol mixture. These methods optimized thermal properties of the PIR foams, achieving R/in. as high as 8.3. This excellent R/in. is anticipated to be a critical factor in significantly advancing the thermal insulation performance of rigid polyurethane cellular foams, thereby enhancing their efficacy in energy-efficient building applications.

Wanasinghe Mudiyanselage Pahala Gedara, Shiwanka V↗

An Instrumented Capsule Design to Measure Thermal Conductivity in Miniature UO2 Specimens

Numerous separate effects irradiations of miniature nuclear fuel specimens have been conducted in the High Flux Isotope Reactor (HFIR) under the experimental platform designated as MiniFuel. MiniFuel is a static irradiation capability in which microstructural evolution and fuel performance phenomena are observed during postirradiation examination thereby offering a snapshot of the terminal fuel characteristics. This approach inherently requires fielding an irradiation where the experimental conditions are determined using predictive models and the pertinent outcomes are measured at the end of the test. Static irradiations can provide useful insights to the relationships between fuel performance and the pivotal irradiation conditions, namely temperature and burnup, but the ability to monitor fuel performance in situ would further support fuel development and qualification. To this end, an instrumented experiment design is being developed at Oak Ridge National Laboratory to capture thermal conductivity degradation and fission gas release during HFIR irradiation. These phenomena will be monitored using unique capsule designs that each target a different phenomenon. This paper details the thermal conductivity capsule (TCC) design and its expected performance envelope as determined using computer models. Each TCC will contain a miniature UO2 disc specimen (~0.5 mm thick × 5 mm diameter) sandwiched between metallic slugs with embedded thermocouples. The coupling of in situ temperature measurements, known thermal conductivity of the metallic components, and heat generation rates computed using high-fidelity neutronics models make the thermal conductivity measurement possible. This paper describes the reactor physics and heat transfer models used to predict the capsule’s performance and the methodology for calculating the fuel specimen’s thermal conductivity from the thermocouple measurements.

Gorton, Jacob [ORNL] (ORCID:0000000269806083)↗

Implement and Test 3D Mortar Contact in BISON

We leverage the extension of the generation of mortar segment meshes to three dimensions in MOOSE’s framework to extend thermomechanical modeling capabilities to problems with three dimensions. A modular approach to gap heat transfer physics using the mortar finite element method was created and documented, mechanical contact was extended to three dimensions—including frictional behavior, performance and ease of use were improved, and steps towards scalability of solid mechanics problems involving contact were taken. Many of these new developments are demonstrated in the simulation of 3D light-water reactor (LWR) problems, where the thermomechanical interface problem is solved using the mortar finite element method. Usage of the mortar framework has improved convergence in 2D problems and has enabled employing friction in 3D problems, of which we show results of a short, local stack of 3D pellets. Consequently, the benefits of mortar in terms of solution convergence and quality are extended to three dimensions. Section 2 discusses fundamental developments that enabled the simulation of practical mortar problems in three dimensions and other general improvements, including the reduction of the derivative container size, the modification of dual basis computations when edge dropping (lack of secondary element projection) takes place, the improvement of conditioning when employing the VCP in-edge dropping conditions, and code usability and quality improvements. These latter code enhancements include the migration of tests using “old” mortar contact constraints to using dual mortar with a semi-smooth Newton solution strategy and the reuse of lower dimensional domains for straightforwardly setting up a mortar thermomechanical LWR problem, i.e. the MOOSE action is employed for mechanical contact and the thermal LWR action is employed to capture the gas conductance, contact, and radiation components of gap heat transfer physics. Independently of the mortar LWR thermal action, we developed a modular approach to gap heat transfer that resides in MOOSE and can be leveraged, e.g., in metallic fuel problems. This approach, whose code design based on MOOSE’s user objects to model specific physics was proposed by the maintenance activity, is detailed in Section 3. Based on the dual mortar finite element method, the frictional contact constraints were extended to three dimensions. A block sheared in two directions in and out of contact with a rigid plane is employed in Section 4 to show the way the approach handles changes in frictional states (e.g. stick to slip) within a competitive number of Newton iterations. Equations and numerical results on the use of the VCP with Cartesian Lagrange multipliers, whose combination enables their direct condensation, are described in Section 5.3. Two-dimensional and three-dimensional BISON LWR simulations are discussed in Section 6. Particularly, a stack of five eccentric pellets with a surface defect is simulated and the effect of pellet-cladding friction is assessed. Finally, conclusions are outlined in Section 7.

42 ENGINEERING↗

Modeling of gap conductance for LWR fuel rods applied in the BISON code

A new gap conductance model is proposed in this study as a combination of Toptan’s model and the Ross-Stoute model. A variance-based sensitivity analysis is performed to understand how simulation results depend on all input parameters of the proposed model. Additionally, new modeling options (e.g. fill gas thermal conductivity, temperature jump distance, thermal accommodation coefficient, etc.) are added into the nuclear fuel performance code, BISON. The need for further investigation of the gap heat transfer between fuel and cladding in BISON motivated this study to evaluate its impact on the code’s predictions. New gap conductance modeling is proposed. A series of integral-effects validation tests is performed: (1) to demonstrate the impact of the proposed model on the code’s fuel temperature predictions at the beginning of life and through the reactor’s life; (2) to ensure that the proposed model is capable of accurately modeling gap heat transfer characteristics in real-world problems; and (3) to investigate the impact of the estimation of fission gas release on the fuel temperature predictions with the proposed model. Overall, the results indicate that the proposed gap conductance model improves BISON’s predictions.

42 ENGINEERING↗

Thermal Charging Rate of Composite Wax-Expanded Graphite Phase Change Materials

Phase change materials (PCMs) are valuable for their ability to store heat nearly isothermally around their phase transition temperature. PCMs are at the core of latent heat thermal energy storage (LHTES) systems, which provide the ability to buffer high thermal loads or decouple the time when heating or cooling is needed from when it is produced. Thermal charging and discharging of LHTES systems often employ a constant temperature source, and the rate at which heat can be exchanged is dependent on the thermophysical properties of the PCM. For graphite composite PCMs, the high thermal conductivity of the graphite enables an increased heat transfer rate through the material, but its presence displaces PCM which reduces the effective volumetric latent heat of the composite relative to the pure PCM. This results in a tradeoff between thermal power and volumetric energy storage capacity. The thermal charging rate is the average thermal energy stored in the material for some elapsed time. In this study, composite PCMs of compressed expanded natural graphite (CENG) and n-Octadecane are studied. Samples with varying CENG mass fractions were synthesized and the thermal charging rate was measured under a constant temperature boundary condition. For evaluation of the expanded graphite-PCM composite, one boundary of the material was exposed to a 50°C constant temperature plate, above the 27.5°C melting temperature of the PCM. The melting front progression [mm-s-1] and the thermal charging rate [W-cm-2] of the PCM were determined, and the results were compared with analytical predictions for the 1-D semi-infinite phase change. For CENG addition up to 5.75% mass fraction, a 450% thermal conductivity increase was observed with a 5% decrease in volumetric energy density as compared to pure octadecane. The average thermal charging rate was increased by over 430% for the melt to penetrate a depth of 22 mm. The experimental results matched analytical predictions, indicating that higher CENG fractions can be evaluated using analytical approaches.

Hirschey, Jason↗

Process intensification approach to enhancing heat and mass transfer during drying: Ultrasonic (US) assisted drying of paper and board

Drying of paper and board is conventionally achieved through alternating conduction (steam-heated cylinders) and pocket convection (heated air over the paper web surface). These conventional drying systems rely heavily on steam from fossil fuels, resulting in inefficiencies, high energy usage, and thermal losses due to surface-driven mechanisms. Here, to address these challenges, an experimental system, with in-situ drying characteristics measurements, was developed to investigate process intensification using ultrasonic-based dewatering—a volumetric, pressure-driven acoustic energy system—integrated with conventional drying. The objectives of this study are to assess the impact of ultrasonics (US) on dewatering; compare performances to conventional drying systems; identify improvements in drying rate and energy use as a function of moisture content; and gain potential insights on heat and mass transfer mechanisms during US-assisted drying. US performance was evaluated across frequencies, power levels, pulp types, and basis weights. Results show that improvements to ultrasonic applications in conjunction with convection were 30-43% in drying rate and 20-35% in drying time over continuous and intermittent applications. When combined with conduction and convection, ultrasonics yielded up to 20% improvement in both rate and time and up to 20% reduction in energy consumption. Observations support a hypothesis of extension of the constant rate period due to improved capillary flow at higher moisture content and enhancing vapor diffusion and boundary layer disruption at lower moisture contents during falling rate period. These findings will inform future modeling, simulation, design and optimization of advanced drying systems.

42 ENGINEERING↗