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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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DOE OSTI2024

Revisiting a Drag Partition Model For Canopy-Like Roughness Elements

Turbulent flows over a large surface area (S) covered by n obstacles experience an overall drag due to the presence of the ground and the protruding obstacles into the flow. The drag partition between the roughness obstacles and the ground is analyzed using an analytical model proposed by Raupach (Boundary-Layer Meteorol 60:375-395, 1992) and is hereafter referred to as R92. The R92 is based on the premise that the wake behind an isolated roughness element can be described by a shelter area A and a shelter volume V. The individual sizes of A and V without any interference from other obstacles can be determined from scaling analysis for the spread of wakes. To upscale from an individual roughness element to n/S elements where wakes may interact, R92 adopted a background stress re-normalizing instead of reducing A or V with each element addition. This work demonstrates that R92’s approach results in a linear background stress reduction in A and V only when the ratio of n/S is small, due to a low probability of wake interactions. This probabilistic nature suggests that up-scaling from individual to multiple roughness elements can be re-formulated using stochastic averaging methods proposed here. The two approaches are shown to recover R92 under plausible conditions. An alternative scaling for the shelter volume is also proposed here using thermodynamic arguments of work and dissipation though the final outcome remains similar to R92. Comparisons between R92 and available data spanning more than two decades after R92 on blocks and vegetation-like roughness elements confirm the practical utility of R92. The agreement between R92 and this updated databases of experiments and simulations confirm the potential use of R92 in large-scale models provided that the relevant parameters accommodate certain features of the roughness element type (cube versus vegetation-like) and, to a lesser extent, their configuration throughout S. Last, a comparison between R92 and models based on first-order closure principles with constant mixing length suggests that R92 can outperform such models when evaluated across a wide range of roughness densities.

canopy turbulence↗
DOE OSTI2026

Evaluating the Transport Mechanism for Lignocellulosic Inhibitors in Zymomonas mobilis

The conversion of lignocellulosic biomass to biofuels and bioproducts is limited by small inhibitory molecules generated during the pretreatment process. The diverse compounds within the cell wall hydrolysate including aldehydes, carboxylic acids, phenolics, and alcohols inhibit microbial growth by disrupting microbial membranes. Although Zymomonas mobilis combines high ethanol productivity with hopanoid-rich membranes that confer solvent tolerance, hydrolysate compounds still inhibit microbial growth. One proposed mitigation strategy is to pump these molecules out through active transport processes, reducing direct toxicity. However, if passive permeation rates are high, active transport would create a futile cycle where the exported molecules diffuse back in, creating a net drag on fitness. To investigate this hypothesis, we measure the passive permeation for thirty-three lignocellulose derived compounds using atomistic molecular dynamics simulations with enhanced sampling. Permeability coefficients determined spanned more than eight orders of magnitude driven largely by the balance between hydrophobicity and polarity. Hydrophobic inhibitors such as aromatic acids, aldehydes, and short chain alcohols readily partitioned into the membrane and showed high permeability consistent with rapid passive influx and strong toxicity. Most polar molecules have lower but still appreciable permeation rates, with only the most polar sugars having low permeabilities. By integrating these predictions together with hydrolysate composition information, we find that most of these molecules are so permeable that futile cycles where passive permeation overwhelms efflux is highly likely. These findings provide a predictive framework for strain engineering, highlighting that, for highly permeable inhibitors, reducing extracellular inhibitor concentrations through hydrolysate detoxification, pretreatment optimization, or dilution may be necessary to mitigate futile cycling and improve microbial productivity in industrial biorefineries.

Zymomonas mobilis↗