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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
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Airborne Measurements of NO, NO2, and NO(y) as Related to NASA's Pacific Exploratory Mission

The Tropospheric Trace Gas and Airborne Measurements Group's (TTGAMG) efforts on NASA GTE (Global Tropospheric Experiment) PEM (Pacific Exploratory Mission) West A & B field campaign primarily involved the acquisition of NO, NO2 and NO(y) measurements, as well as the subsequent analysis and interpretation of the data base obtained during the PEM West field campaign. These investigations focused on the distribution of trace gases, sources and sinks of ozone, ozone producing precursors with a heavy emphasize on ozone's photochemical state, and the partitioning of the molecules within the NO(y) family over the north western Pacific Ocean. The two components of PEM West were focused on observing air masses as they reached the Asian Continent (PEM West A) or as the air mass departed the Asian Continent (PEM West B). NO(x) concentrations play a pivotal role in controlling the photochemical lifetime of ozone in these environments, and understanding the NO(x) species partitioning is paramount. The transport of NO(x) into the regions, in the form of longer lived NO(y) family members, was examined in relation to the comparison of natural occurring sources of NO(x) (i.e., lightning and stratosphere/troposphere exchange) to those produced as a result of anthropogenic activity (i.e., biomass burning and aircraft emissions). The TTGAMG's measurements of NOx and NO(y), in conjunction with other investigators' measurements of PAN (H. B. Singh's group) and HNO3 (R. W. Talbot's group), have been used to assess the total reactive odd nitrogen levels over the study regions, the partitioning of the reactive odd nitrogen species in their various forms, and the usefulness of the NO, measurement and its measurement technique. The TTGAMG's primary PEM West objectives were the characterization of the factors controlling the distribution and fate of reactive odd nitrogen compounds over the western Pacific Ocean and an analysis of the concentration of various trace gases in the troposphere as the air mass aged by both dynamical mixing and photochemical processes in the troposphere.

Sandholm, Scott↗
DOE OSTI2024

Persistence of Methionine Side Chain Mobility at Low Temperatures in a Nine‐Residue Low Complexity Peptide, as Probed by 2 H Solid‐State NMR

Abstract Methionine side chains are flexible entities which play important roles in defining hydrophobic interfaces. We utilize deuterium static solid‐state NMR to assess rotameric inter‐conversions and other dynamic modes of the methionine in the context of a nine‐residue random‐coil peptide (RC9) with the low‐complexity sequence GGKGMGFGL. The measurements in the temperature range of 313 to 161 K demonstrate that the rotameric interconversions in the hydrated solid powder state persist to temperatures below 200 K. Removal of solvation significantly reduces the rate of the rotameric motions. We employed 2 H NMR line shape analysis, longitudinal and rotation frame relaxation, and chemical exchange saturation transfer methods and found that the combination of multiple techniques creates a significantly more refined model in comparison with a single technique. Further, we compare the most essential features of the dynamics in RC9 to two different methionine‐containing systems, characterized previously. Namely, the M35 of hydrated amyloid‐β 1–40 in the three‐fold symmetric polymorph as well as Fluorenylmethyloxycarbonyl (FMOC)‐methionine amino acid with the bulky hydrophobic group. The comparison suggests that the driving force for the enhanced methionine side chain mobility in RC9 is the thermodynamic factor stemming from distributions of rotameric populations, rather than the increase in the rate constant.

Vugmeyster, Liliya↗
DOE OSTI2024

One hundred priority questions for advancing seagrass conservation in Europe

Societal Impact Statement Seagrass ecosystems are of fundamental importance to our planet and wellbeing. Seagrasses are marine flowering plants, which engineer ecosystems that provide a multitude of ecosystem services, for example, blue foods and carbon sequestration. Seagrass ecosystems have largely been degraded across much of their global range. There is now increasing interest in the conservation and restoration of these systems, particularly in the context of the climate emergency and the biodiversity crisis. The collation of 100 questions from experts across Europe could, if answered, improve our ability to conserve and restore these systems by facilitating a fundamental shift in the success of such work. Summary Seagrass meadows provide numerous ecosystem services including biodiversity, coastal protection, and carbon sequestration. In Europe, seagrasses can be found in shallow sheltered waters along coastlines, in estuaries & lagoons, and around islands, but their distribution has declined. Factors such as poor water quality, coastal modification, mechanical damage, overfishing, land‐sea interactions, climate change and disease have reduced the coverage of Europe’s seagrasses necessitating their recovery. Research, monitoring and conservation efforts on seagrass ecosystems in Europe are mostly uncoordinated and biased towards certain species and regions, resulting in inadequate delivery of critical information for their management. Here, we aim to identify the 100 priority questions, that if addressed would strongly advance seagrass monitoring, research and conservation in Europe. Using a Delphi method, researchers, practitioners, and policymakers with seagrass experience from across Europe and with diverse seagrass expertise participated in the process that involved the formulation of research questions, a voting process and an online workshop to identify the final list of the 100 questions. The final list of questions covers areas across nine themes: Biodiversity & Ecology; Ecosystem services; Blue carbon; Fishery support; Drivers, Threats, Resilience & Response; Monitoring & Assessment; Conservation & Restoration; Governance, Policy & Management; and Communication. Answering these questions will fill current knowledge gaps and place European seagrass onto a positive trajectory of recovery.

Nordlund, Lina Mtwana↗
DOE OSTI2025

Implementation and evaluation of multi-dual mode counter-current chromatography in the CUP Modeler software

Counter-current chromatography (CCC) is a separation technique that utilizes immiscible solvent pairs as stationary and mobile phases, which imparts numerous benefits compared to solid-liquid chromatography including the ability to treat either the more-dense or less-dense solvent layer as the mobile phase. Multi-dual mode (MDM) is a CCC elution mode capable of improving the separation of closely eluting compounds by alternating upper- and lower-layer solvent flows in opposing directions within the same separation. While some effort has been made to model MDM, implementation of these models in experimental design has yet to be widely adopted. Accordingly, we further developed our previously published cell utilized partitioning (CUP) model to include MDM predictions with CCC and packaged the full suite of CUP modeling capabilities into a user-friendly, open-source tool called the CUP Modeler. The mathematical model for MDM CCC was derived and validated with experimental separation of ethyl guaiacol (EG) and ethyl phenol (EP), two compounds that co-elute in our previously demonstrated reductive catalytic fractionation (RCF) lignin monomer isolation method. The developed MDM model provided insights into the effect of multiple operating parameters - including stationary phase retention, flow rate, column efficiency, feed concentration ratio, selectivity factor, and solute distribution ratios - on the separation yields, productivity, and purities. Our model agreed with prevailing understanding of MDM but also revealed new insights including that the ideal distribution ratios for co-eluting solutes to be separated by MDM is between 1.1 and 1.5, with the lower value ideally close to 1.25. Overall, this work provides fundamental insights for MDM process design and enables broader adoption of general liquid-liquid chromatography with a new, open-source user-friendly interface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Shell effects in quasi-fission: Reactions forming actinide and superheavy compound nuclei

Quasi-fission occurs in fully damped heavy-ion collisions following a significant mass transfer between the fragments, without formation of a compound nucleus. As in fission, quasi-fission is expected to be affected by quantum effects leading to asymmetric mass splits. Quantum shells stabilising fission fragments with octupole shapes have been invoked as a factor determining the distribution of nucleons between the fragments at scission, explaining the fact that the centroid of the heavy fragment charge distribution is found around Z = 54 protons in fission and quasi-fission of actinides. These shell effects are studied in microscopic studies of quasi-fission. In particular, time-dependent Hartree-Fock (TDHF) calculations have been performed for reactions forming actinides.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Tree Canopies Reflect Mycorrhizal Composition

Mycorrhizae alter global patterns of CO 2 fertilization, carbon storage, and elemental cycling, yet knowledge of their global distributions is currently limited by the availability of forest inventory data. Here, we show that maps of tree-mycorrhizal associations (hereafter “mycorrhizal maps”) can be improved by the novel technology of imaging spectroscopy because mycorrhizal signatures propagate up from plant roots to impact forest canopy chemistry. We analyzed measurements from 143 airborne imaging spectroscopy surveys over 112,975 individual trees collected across 13 years. Results show remarkable accuracy in capturing ground truth observations of mycorrhizal associations from canopy signals across disparate landscapes (R 2 = 0.92, p < 0.01). Additionally, upcoming imaging spectroscopy satellite missions can reveal new insights into landscape-scale variations in water, nitrogen, phosphorus, carotenoid/anthocyanin, and cellulose/lignin composition. Applied globally, this approach could improve the spatial precision of mycorrhizal distributions by a factor of roughly 104 and facilitate the incorporation of dynamic shifts in forest composition into Earth system models.

58 GEOSCIENCES↗
DOE OSTI2022

Mineral Protection and Resource Limitations Combine to Explain Profile-Scale Soil Carbon Persistence

The fate of soil carbon (C) is largely controlled by microbial oxidation of organic matter (OM), which is constrained by a variety of mechanisms. OM association with soil minerals provides pronounced protection against microbial decomposition. However, factors such as climate, occlusion, and resource limitations also contribute to OM preservation. Here, we explore the factors explaining C distribution and age within an upland rainforest soil in Hawai'i, a site with abundant preferential flow paths (PFPs) and high short-range order (SRO) mineral content. We characterized lateral and vertical changes in Δ 14 C, SRO mineral content, C-functional group chemistry, and microbial community composition to elucidate the contributions of multiple protection mechanisms to OM preservation. Consistent with our expectation, SRO mineral content and Δ 14 C were strongly correlated (R 2 = 0.95), indicating strong mineral protection of OM throughout the profile. Surprisingly, distance from PFP was also a significant predictor of Δ 14 C and improved model fit, particularly in the shallow horizons (R 2 = 0.97). Elevated C/N ratios, decreased microbial abundance, and greater SRO mineral content suggest nitrogen limitations and enhanced mineral protection constrain OM turnover with distance from PFPs in deep, subsurface mineral horizons. Steady microbial abundance, increasing putative anaerobe abundance, and changes in C-functional group chemistry indicate oxygen limitations constrain OM turnover in the matrix of shallow mineral horizons. Given that oxygen and nutrient limitations contribute to OM preservation in this high SRO system—an exemplar of mineral protection—resource limitations may play an even more important role in OM preservation in other well-structured soils.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Metabolic interactions shape emergent biofilm structures in a conceptual model of gut mucosal bacterial communities

Abstract The gut microbiome plays a major role in human health; however, little is known about the structural arrangement of microbes and factors governing their distribution. In this work, we present an in silico agent-based model (ABM) to conceptually simulate the dynamics of gut mucosal bacterial communities. We explored how various types of metabolic interactions, including competition, neutralism, commensalism, and mutualism, affect community structure, through nutrient consumption and metabolite exchange. Results showed that, across scenarios with different initial species abundances, cross-feeding promotes species coexistence. Morphologically, competition and neutralism resulted in segregation, while mutualism and commensalism fostered high intermixing. In addition, cooperative relations resulted in community properties with little sensitivity to the selective uptake of metabolites produced by the host. Moreover, metabolic interactions strongly influenced colonization success following the invasion of newcomer species. These results provide important insights into the utility of ABM in deciphering complex microbiome patterns.

Biotechnology & Applied Microbiology↗
DOE OSTI2024

Temperature-induced gradual polymorphic structural crossover in liquid indium, tin, and antimony

Temperature-induced polymorphic structural crossover in metallic liquid indium (In), tin (Sn), and antimony (Sb) is investigated by in situ high-energy x-ray diffraction and ab initio molecular dynamics simulations. The results demonstrate the existence of a temperature-induced reversible and gradual structural crossover in these three liquids, reflecting from both “static” structures, e.g., peak positions of the structure factor and pair distribution function, bond angle distribution, number of tetrahedra, cluster connection, free volume, and dynamical behaviors, including the relaxation time, diffusion coefficient, and non-Gaussian parameter. Further, the main difference from liquid In, Sn, to Sb is that not only the large-sized free volume but also the anharmonicity and the dynamical heterogeneity increase significantly with the appearance of strong covalent bonds. These findings will deepen the understanding of liquid structure and the liquid-liquid transition in metallic liquids.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Pressure-induced polyamorphic transition in CaA l 2 O 4 glass

In situ high-pressure ultrasonic velocity measurements of CaAl 2 O 4 glass reveal abrupt irreversible discontinuities in the elastic wave velocities at ~8–10 GPa. Total structure factor and pair distribution functions measured by synchrotron x-ray diffraction show a rapid change in the intermediate range structure attributed to a rearrangement of calcium ions over this narrow pressure region. Atomistic models obtained from molecular dynamics simulations reveal that this intermediate range structure is explained by a transition of Ca–O void radius distribution from a bimodal distribution with peaks at ~2.1 and ~2.4 Å to a single distribution centered at ~2.1 Å. Further, these abrupt structural changes involving the rapid increase in elastic wave velocity are markedly different to the continuous transformations observed in conventional network-forming glasses, such as SiO 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Shock-driven amorphization and melting in Fe 2 O 3

We present measurements on Fe 2⁢ O 3 amorphization and melt under laser-driven shock compression up to 209(10) GPa via time-resolved in situ x-ray diffraction. At 122(3) GPa, a diffuse signal is observed indicating the presence of a noncrystalline phase. Structure factors have been extracted up to 182(6) GPa showing the presence of two well-defined peaks. A rapid change in the intensity ratio of the two peaks is identified between 145(12) and 151(12) GPa, indicative of a phase change. The noncrystalline diffuse scattering is consistent with shock amorphization of Fe 2 ⁢O 3 between 122(3) and 145(12) GPa, followed by an amorphous-to-liquid transition above 151(12) GPa. Upon release, a noncrystalline phase is observed alongside crystalline α–Fe 2⁢ O 3 . The extracted structure factor and pair distribution function of this release phase resemble those reported for Fe 2 ⁢O 3 melt at ambient pressure.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Experimental study of the Si 30 ( He 3 , d ) P 31 reaction and thermonuclear reaction rate of Si 30 ( p , γ ) P 31

Background: Abundance anomalies in some globular clusters, such as the enhancement of potassium and the depletion of magnesium, can be explained in terms of an earlier generation of stars polluting the presently observed ones. It was shown that the potential range of temperatures and densities of the polluting sites depends on the strength of a few critical reaction rates. The 30 Si(p,γ) 31 P reaction has been identified as one of these important reactions. Purpose: The key ingredient for evaluating the thermonuclear 30 Si(p,γ) 31 P reaction rate is the strength of the resonances which, at low energy, are proportional to their proton width. Therefore, the goal of this work is to determine the proton widths of unbound 31 P states. Method: States in 31 P were studied at the Maier-Leibnitz-Laboratorium using the one-proton 30 Si( 3 He,d) 31 P transfer reaction. Deuterons were detected with the high resolution one quadrupole three dipoles (Q3D) magnetic spectrometer. Angular distribution and spectroscopic factors were extracted for 27 states, and proton widths and resonance strengths were calculated for the unbound states. Results: Several 31 P unbound states have been observed for the first time in a one-proton transfer reaction. Above 20 MK, the 30 Si(p,γ) 31 P reaction rate is now entirely estimated from the observed properties of 31 P states. The reaction rate uncertainty from all resonances other than the E$^{c.m.}_{r}$ = 149 keV resonance has been reduced down to less than a factor of 2 above that temperature. The unknown spin and parity of the E$^{c.m.}_{r}$ = 149 keV resonance dominates the uncertainty in the rate in the relevant temperature range. Conclusion: Here, the remaining source of uncertainty on the 30 Si(p,γ) 31 P reaction rate comes from the unknown spin and parity of the E$^{c.m.}_{r}$ = 149 keV resonance which can change the reaction rate by a factor of 10 in the temperature range of interest.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

ORNL_AISD_NiNb

This dataset describes the nickel-niobium solid solution binary alloy, where the two constituent elements nickel (Ni) and niobium (Nb) are randomly placed on an underlying crystal lattice. This dataset for nickel-niobium (Ni-Nb) alloys available includes the formation energy and bulk modulus for each crystal structure. Each atomic sample has a disordered phase which is obtained starting from an initial regular crystal structure of type body-centered cubic (BCC), face-centered cubic (FCC), or hexagonal compact packed (HCP). The geometry optimization ensures that all the alloy samples reached the equilibrium with negative formation energy. We perform geometry optimizations using the LAMMPS simulation package [1], a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. We utilized the embedded atom model (EAM) potential for Ni and Nb developed in a previous study [2]. The potential could describe behaviors of the liquid and solid phases of Ni-Nb alloy. The structural factors and angular distributions of three atoms are well-matched with X-ray and ab initio-based molecular dynamics data. We prepared the three different crystals with different initial lattice parameters (3.52 Ã… for FCC, 3.32 Ã… for BCC, and 3.5 Ã… for HCP). We performed energy minimization in two steps. Firstly, we minimized the structures with an isotropic unit cell to minimize the side effects from our arbitrary lattice parameters for all other compositions. Then, we applied geometry optimization with a triclinic (non-orthogonal) unit cell to fully minimize the stress components to calculate the elastic constants. In this procedure, we chose 10,000 as the maximum number of allowable steps aimed at obtaining fully relaxed atomic geometries. The dataset consists of three sets of crystal structures. The first set contains 46,086 irregular crystal structures, each of them with 54 atoms, obtained through optimization starting from a regular BCC crystal structure. The second set contains 24,543 irregular crystal structures, each of them with 32 atoms, obtained through optimization starting from a regular FCC crystal structure. The third set contains 39,303 irregular crystal structures, each of them with 48 atoms, obtained through optimization starting from a regular HCP crystal structure. The atomic configurations within each set span the possible compositional range. The three sets have been unified in a global dataset, which is extremely heterogeneous in terms of crystal structures, lattice volumes, and atomic configurations. Organization of files inside the dataset: the dataset contains three subdirectories called • BCC_opt • FCC_opt • HCP_opt based on the type of initial regular structure used to start the geometry optimization. Inside each of these folders, every atomic structure is identified by a string “A_B_Câ€, where A denotes the number of Nb in the system, B denotes index of structure with a given Nb number, and C denotes the total number of structures generated with a given Nb number. For each optimized crystal structure identified by the unique string of characters “A_B_Câ€, three files are provided: • A_B_C_opt.xyz: The optimized geometries in xyz format • A_B_C_opt.cfg: The optimized geometries in cfg format. It includes cell information and atomic energy, and forces calculated from LAMMPS. • A_B_C.elastic: Raw data of 21 elastic constants from LAMMPS output. • A_B_C.bulk: Calculated upper and lower bounds of bulk modulus and averaged one based on Voigt-Reuss-Hill approach from *.elastic. References: [1] A. P. Thompson, H. M. Aktulga, R. Berger, D. S. Bolintineanu, W. M. Brown, P. S. Crozier, P. J. in 't Veld, A. Kohlmeyer, S. G. Moore, T. D. Nguyen, R. Shan, M. J. Stevens, J. Tranchida, C. Trott, and S. J. Plimpton. LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales. Comp. Phys. Comm., 271:108171, 2022. [2] Y Zhang, R Ashcraft, MI Mendelev, CZ Wang, and KF Kelton. Experimental and molecular dynamics simulation study of structure of liquid and amorphous ni62nb38 alloy. The Journal of chemical physics, 145(20):204505, 2016.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Highly Integrated Wide Bandgap Power Module for Next Generation Plug-In Vehicles (Final Report)

Wide bandgap devices are key enablers for high power density traction inverters. A highly integrated wide bandgap (WBG) power module enables higher temperature operation, higher inverter efficiency and overall smaller die area with the same power delivery. However, it requires careful design of the power module to take advantage of all the superior material properties that silicon carbide (SiC) provides over conventional silicon (Si) Insulated Gate Bipolar Transistor (IGBT) based design. This project developed an efficient and densely packed SiC power module for an automotive traction inverter application. Extensive study was performed to select the best performing SiC die considering a wide range of temperature variation, suitability to integrate into target packaging, robust body diode performance and overall high electrical efficiency. Multiple design ideas were explored to achieve lower stray inductance for both power loop and signal loop, uniform current distribution, compact form factor, and very high thermal performance. The final power module package includes all six inverter switches in the same module (six-pack) with die sintered at both bottom and top surfaces utilizing high performance substrate to achieve high electrical and thermal performance. Two power module variants were developed using 900 V and 1200 V devices for operating at two different high voltage levels (> 600 V HV battery). Both power modules were comprehensively characterized, and high efficiency operation of the inverter was confirmed through analysis. Finally, a complete functional inverter was built with the 1200V power modules using other essential components (HV capacitors, gate driver board, controller board, current sensor, connectors etc.) and tested using GM’s standard test procedure. There are several challenges associated with adopting WBG devices for high voltage operation. In order to assess and mitigate those challenges, GM and subrecipients of this project have conducted multiple detailed studies. This includes phase current reconstruction using integrated Rogowski coil, device junction temperature estimation using on-state gate resistance, modeling and testing the effect of high voltage and fast switching on motor insulation and bearings, partial discharge inception voltage measurement under different environmental conditions. Findings of all these studies are summarized in this report.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Search For Low-Mass Quark-Antiquark Resonances Produced With an Initial State Photon at 13 TeV Using the CMS Detector

We present a search for low-mass narrow qq̅ resonances. This search uses data from LHC pp collisions at a center of mass of 13 TeV in Run 2, and corresponds to an integrated luminosity of 137 fb^{-1}, currently using 10\% of data. Utilizing full Run 2 data allows the use of a lower photon pT threshold trigger than a previous analysis performed with only 2016 data, allowing this analysis to be more sensitive to resonances in the low mass region. We require an initial state photon recoiling against the narrow resonance, leading to the resonance having a high transverse momentum. The high pT decay products of the resonance collimate and are reconstructed as a single large jet with an internal two-pronged substructure. A two-pronged dijet score based on the ParticleNet tagger is used to select jets with two-pronged substructure. The background is estimated via a data-driven method using a transfer factor between the distributions which fail and pass the two-pronged substructure requirement. The new physics signal is searched for as a narrow peak excess above the Standard Model backgrounds in the jet mass spectrum.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Exploring Nonmotorized Travel in New York State Using 2017 National Household Travel Survey Data

This report presents systematic analysis of nonmotorized travel behavior within New York State (NYS) utilizing 2017 National Household Travel Survey data. As walking and biking assume increasingly prominent roles in advancing active transportation objectives, accessible mobility, and sustainable transportation systems, comprehensive understanding of these modal patterns becomes essential for evidence-based policy development and strategic planning initiatives. Recognizing the substantial geographic, demographic, and socioeconomic heterogeneity characterizing NYS—spanning from the concentrated urban fabric of New York City (NYC) to dispersed suburban and rural contexts—this analysis employs the structured "4Ws" analytical framework to examine participant demographics, spatial and temporal distributions, and motivational factors underlying active transportation choices relative to motorized alternatives. This methodological approach captures modal behavior patterns, user characteristics, trip purposes, and temporal variations across the state's diverse contexts. Additionally, the research examines behavioral differences among distinct user classifications, including walk-only and bike-only travelers, while conducting comparative analysis of nonmotorized travel patterns between ALICE (Asset Limited, Income Constrained, Employed) and non-ALICE household categories.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

Measurement of Transport Properties of Woody Biomass Feedstock Particles Before and After Pyrolysis by Numerical Analysis of X-Ray Tomographic Reconstructions

Lignocellulosic biomass has a complex, species-specific microstructure that governs heat and mass transport during conversion processes. A quantitative understanding of the evolution of pore size and structure is critical to optimize conversion processes for biofuel and bio-based chemical production. Further, improving our understanding of the microstructure of biochar coproduct will accelerate development of its myriad applications. This work quantitatively compares the microstructural features and the anisotropic permeabilities of two woody feedstocks, red oak and Douglas fir, using X-ray computed tomography (XCT) before and after the feedstocks are subjected to pyrolysis. Quantitative analysis of the three-dimensional (3D) reconstructions allows for direct calculations of void fractions, pore size distributions and tortuosity factors. Next, 3D images are imported into an immersed boundary based finite volume solver to simulate gas flow through the porous structure and to directly calculate the principal permeabilities along longitudinal, radial, and tangential directions. The permeabilities of native biomass are seen to differ by three to four orders of magnitude in the different principal directions, but we find that this anisotropy is substantially reduced in the biochar formed during pyrolysis. The quantitative transport properties reported here enhance the ability of pyrolysis simulations to account for feedstock-specific effects and thereby provide a useful touchstone for the biorefining community.

09 BIOMASS FUELS↗