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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Higher-order interaction effects among operating conditions and feedstocks shape reactor microbiomes and fatty acid production profiles

Arrested anaerobic digestion (AAD) offers a promising route for producing fatty acids (FAs) from organic residues, yet optimal conditions for selectively generating medium-chain fatty acids (MCFAs) remain poorly defined. Here, we systematically evaluated the main and interaction effects of pH (5, 7, 9), feedstock (food waste, manure), temperature (35 and 45 °C), and inoculum source on microbiome composition and FA production. Anaerobic digester sludge and a novel bison rumen inoculum were compared. Significant higher-order interactions among operating parameters governed FA profiles and microbiome structure. Butyric acid production was driven by a three-way interaction among pH, feedstock, and temperature (p < 0.001), with maximum concentrations achieved in food waste reactors at pH 5.0 and 35 °C (1.2 ± 0.1 g L −1 with sludge and 1.1 ± 0.3 g L −1 with rumen). MCFA production exhibited significant four-way interactions (p < 0.1 to p < 0.001). At 45 °C and pH 5.0, inoculum source tuned MCFA selectivity: sludge favored pentanoic acid (0.4 ± 0.1 g L −1 ), whereas rumen favored hexanoic and heptanoic acids (up to 0.4 ± 0.2 g L −1 ). Manure reactors produced < 0.2 g L −1 MCFAs under all conditions. Genera, including Megasphaera, Prevotella, and Lactobacillus, were associated with production of specific MCFAs. PICRUSt2-based pathway predictions were consistent with MCFA production patterns and suggested a potential role for lactic acid–driven chain elongation pathways. This study provides insights into how interacting operating conditions shape AAD microbiomes, their FA profiles, and advances the trajectory of research aimed at engineering robust and controllable microbiomes for waste valorization.

09 BIOMASS FUELS↗
DOE OSTI2026

Expanding the horizon of bio-naphtha beyond gasoline blend: property characterization and conversion opportunity assessment through technoeconomic and life-cycle analyses

Bio-naphtha, a common by-product of biorefineries, is expected to experience substantial growth in supply due to increasing demands for renewable diesel and synthetic aviation fuel (SAF). However, demand for bio-naphtha itself as a gasoline blendstock is limited because of the electrification of light-duty vehicles. This work investigated valorization opportunities for bio-naphtha from catalytic fast pyrolysis, hydrothermal liquefaction, Fischer–Tropsch synthesis, and hydrotreated esters and fatty acids pathways. These opportunities include producing polymer-grade olefin via steam cracking, SAF via steam cracking followed by olefin oligomerization, and renewable aromatics benzene, toluene, and xylene (BTX) and hydrogen via catalytic reforming. Process models were developed in Aspen Plus V14 and Aspen HYSYS V14 to calculate the mass and energy balances for each conversion step. Technoeconomic assessment and life-cycle analysis were conducted to evaluate the minimum fuel/product selling price, conversion cost, and life-cycle CO2 equivalent (CO2e) emission reduction. Technoeconomic assessment results suggest a minimum fuel/product selling price as low as $1.9/kg of olefins, $6.30/gal of gasoline-equivalent SAF, and $1.2/kg of BTX without any incentives. For all pathways, these prices are dominated by bio-naphtha feedstock costs, which account for at least 76% of the total cost. Compared with petroleum baselines, bio-naphtha-derived SAF, olefins, and BTX can achieve significant CO2e emission reductions from the use of renewable carbon resources. The results of life-cycle analysis and subsequent technoeconomic assessment, incorporating carbon credits, indicate the economic viability of using bio-naphtha for polymer-grade olefin and BTX production, with product costs comparable to market prices.

Xu, Shuang↗
DOE OSTI2017

Quenching of reactive intermediates during mechanochemical depolymerization of lignin

Mechanochemical reactions are performed to depolymerize organosolv lignin with sodium hydroxide in a mixer ball mill. GPC analysis reveals that rapid depolymerization into small oligomers occurs within minutes of milling time, followed by a slower reduction in average relative molecular mass over the next 8 h of milling. Monomeric products are identified by GC–MS and quantified by GC-FID. The extent of depolymerization appears to be limited by repolymerization reactions that form bonds between products. Suppression of these repolymerization reactions can be achieved through the addition of methanol as a scavenger or adjustment of the moisture content of the feedstock. These modifications result in lower average relative molecular masses and higher yields of monomers. These results are an important step towards designing an efficient pathway for lignin valorization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Preface

This special issue of Catalysis Today results from the Symposium in Catalysts and Catalytic Technologies for Conversion of Biomass and its Derivatives during the 252nd American Chemical Society National Meeting & Exposition held in Philadelphia, Pennsylvania on August 22 – 24, 2016. The topics of the three-day symposium covered (1) experimental and theory/computational methods for characterization and reactivity studies of biomass catalytic conversion; (2) novel catalytic materials for biomass processing: heterogeneous, homogeneous and biological catalysts; (3) catalytic technologies for biomass pretreatment and upgrading; and, (4) catalytic conversion of lignocellulose, starch, sugars and lipids to fuels and chemicals. The symposium consisted of 49 accepted presentations, with three keynote talks specifically on hydrogenation/hydrogenolysis of furans, thermochemical conversion of biomass and valorization of lignocellulosics to fuels, materials and chemicals.

Olarte, Mariefel V.↗
DOE OSTI2018

Correlating furfural reaction pathways with interactions between furfural and monometallic surfaces

Controlling the selectivity of furfural reaction is an important step towards valorizing this important platform chemical in biomass conversion. Previous studies speculate that the selectivity of furfural reaction depends on the interactions of furan ring with metal surfaces. In this work, high resolution electron energy loss spectroscopy (HREELS) and temperature programmed desorption (TPD) are employed to directly study the correlations between furfural reaction pathways and interactions between furfural and different monometallic surfaces. Monometallic surfaces with strong ring interactions favor ring-opening products, while monometallic surfaces with weak ring interactions favor furan production. Oxophilic metal surface like Fe(110) promotes the hydrodeoxygenation pathway to produce 2-methylfuran due to strong interaction with the carbonyl group. Furthermore, these results should provide guidance in the future catalyst design for converting furfural to value-added products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Catalyzing the future: recent advances in chemical synthesis using enzymes

Biocatalysis has the potential to address the need for more sustainable organic synthesis routes. Pro-tein engineering can tune enzymes to perform in cascade reactions and for efficient synthesis of en-antiomerically enriched compounds, using both natural and new-to-nature reaction pathways. This review highlights recent achievements in biocatal-ysis, especially the development of novel enzymatic syntheses to access versatile small molecule inter-mediates and complex biomolecules. Biocatalytic strategies for the degradation of persistent pollu-tants and approaches for biomass valorization are also discussed. Here, the transition of chemical synthesis to a greener future will be accelerated by imple-menting enzymes and engineering them for high performance and new activities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Integrated lignocellulosic biorefinery for efficient production of furans and photothermal materials

Integrated lignocellulosic biorefineries offer a great potential to valorize all the components in lignocellulose into products, including fuels, chemicals, and materials. However, because of lignocellulose recalcitrance, conversion of bioresources remains a techno-economic challenge for many lignocellulosic biorefineries. In this work, we have proposed a sustainable and profitable biorefinery strategy for lignocellulose fractionation and conversion. In this design, a biphasic solvent consisting of a molten salt hydrate LiCl·4H 2 O and γ-valerolactone (GVL) was initially used for separating hemicellulose from lignocellulose. More interestingly, 100 wt% of biorefinery products from lignin were directly converted to functional photothermal materials by coordinating with Fe 3+ for solar-thermal-electricity conversion. Attributed to this rational design, we report the techno-economic analysis predicts a revenue of 439.3 USD by processing 100 kg of lignocellulosic biomass using the above developed method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Scaling up carboxylic acid production from cheese whey and brewery wastewater via methane-arrested anaerobic digestion

In a circular economy, organic waste streams are valuable resources for sustainably producing chemicals and fuels. This study investigates a new methane-arrested anaerobic digestion (MAAD) process that converts high-strength cheese whey and brewery wastewater into carboxylic acids. The process was developed and optimized under various bench-scale semi-continuous (fed-batch) operating conditions (e.g., retention time, organic loading rate, pH, and feed/harvest frequency). The MAAD responses to various control-failure scenarios were also systematically investigated. The highest total acid productivity was 26g/(L liq ·d) with a substrate conversion of 0.79g COD digested /g COD fed at a hydraulic retention time (HRT) of approximately 2 d in a 14-L digester. The most stable conditions for digester operation (HRT 3 d at pH 6.0 and 40°C) were selected for process scale-up to 100gal (~380 L). Semi-continuous, pilot-scale MAAD successfully produced a total acid concentration of 40.6+/-1.1 g/L with 8.1% acetic acid, 45.1% butyric acid, and 44.5% lactic acid. The links between wastewater characteristics, operation mode, digester scale, and microbial community structure were statistically analyzed. The results show genera Sporolactobacillus and Clostridium positively correlate with butyric acid production (Pearson correlation coefficient>0.5). Moreover, four kinetic models were developed and fit to batch MAAD experimental datasets (R 2 >95%) and were successfully applied to predict the total acid production in both bench-and pilot-scale semi-continuous MAADs. In conclusion, this study shows MAAD has the potential for industrial-scale applications and is a robust platform to valorize low- or negative-value waste streams into high-value bioproducts.

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

Physical model and experimental validation of a high temperature proton exchange membrane electrochemical hydrogen pump cell for efficient single-stage extraction of low concentration hydrogen gas

There is interest in valorization of existing natural gas infrastructure to facilitate the co-transportation of hydrogen via blending of hydrogen gas initially at limited concentrations of 1–20 vol% H2 and to subsequently extract hydrogen at fuel cell quality standards (SAE J2719/ISO14687-2). High temperature proton exchange membrane electrochemical hydrogen pump (HT-PEM EHP) based on phosphoric acid doped polybenzimidazole (PA-PBI) exhibits good performance at elevated temperatures (>120 °C), which provides desirable tolerance to non-methane natural gas constituents that are problematic for lower temperature based EHP. To better understand the suitability of the HT-PEM EHP for such gas separation processes, a two-dimensional model of EHP based on PA-PBI was developed. The model is validated for several relevant operating conditions and across cells with differing amounts of phosphoric acid content in the electrodes. Operando micro x-ray computed tomography (CT) imaging of an HT-PEM EHP was used to further validate physical parameters and assumptions of the model. The impacts of pressure, relative humidity of the anode feed, and concentration of feed gases on separation performance are investigated. This study shows that a specific energy of separation of 5.1 kWh/kg H2 at a hydrogen recovery factor (HRF) of 50 vol% can be achieved in a single stage with the EHP, producing fuel cell quality hydrogen purity of 99.99 vol% H2 from a 2 vol% H2/CH4 feed blend, while pressurizing the product H2 at a pressure ratio of 1.3 relative to feed pressure.

Stansberry, John M↗
DOE OSTI2026

Functionalized benzylamines from commercial kraft lignin

Benzylamines are key intermediates in pharmaceuticals, agrochemicals, and polymers, but their conventional production relies on benzyl chloride - a petroleum-derived compound with high toxicity and energy demands. Lignin, accounting for up to 30% of plant biomass, is the largest renewable source of aromatic carbon on Earth. However, its highly complex and recalcitrant structure poses a major barrier to efficient conversion into high-value chemicals. Here, in this study, we developed a catalytic approach to convert commercial kraft lignin into phenolic benzylamines through selective depolymerization and subsequent functionalization. We systematically evaluated the effects of three alcohol solvents, formic acid (FA), and a ruthenium-on‑carbon (Ru/C) catalyst on monophenol yield and selectivity. Up to 6.5 wt% monophenol yield was achieved using methanol (MeOH), FA, and Ru/C at 300 °C for 2 h. Quantum thermodynamic simulations based on the COSMO-RS model confirmed the superior solvation and reactivity of the MeOH + FA system, rationalizing observed product yield. The purified monophenolic products, primarily guaiacol and alkyl guaiacols, were then converted into functionalized benzylamines with >90% yield via a multicomponent Mannich reaction under mild conditions. Techno economic analysis (TEA) and life cycle assessment (LCA) underscore the importance of improving lignin depolymerization yields and expanding biorefinery scale. Solvent-only configurations outperform other options in both cost and emissions, with the methanol-only case performing the best ($\$$105 /kg and 26 kg CO 2e /kg) at a large-scale facility. This study establishes a scalable, bio-based pathway for producing benzylamines from commercial kraft lignin, advancing lignin valorization and offering a sustainable alternative to produce petrochemical-based benzylamines.

Catalytic reduction↗
DOE OSTI2026

Green pretreatment strategies for enhanced microbial lipid fermentation and synergistic high-quality lignin recovery for next-generation integrated biorefineries

Miscanthus × giganteus (Mxg) is a warm-season perennial grass being commercialized as a biomass feedstock for temperate farms. Three process strategies were compared for converting Mxg into single-cell oil and extracted lignin intermediates, as hydrothermal (HT) processing and two natural deep eutectic solvents (NADES), ChCl:LA (choline chloride:lactic acid) and ChCl:Gly (choline chloride:glycerol). Pretreatments were performed at 10% and 50% solids loading at 140 °C, 2 h; HT: 190 °C, 10 min. Enzymatic hydrolysates, generated at 10% solids using washed and unwashed biomass, were evaluated for microbial lipid production. Maximum glucose conversions from washed biomass reached 83.5% (ChCl:LA), 52.7% (ChCl:Gly), and 74.0% (HT). Remarkably, NADES-derived hydrolysates effectively replaced refined sugars for the cultivation of the oleaginous yeast Rhodotorula toruloides, achieving ∼51% higher biomass (OD 90.7) and lipid titers of 19.36 g/L within 45 h using a two-stage fermentation strategy. Lipid contents ranged from 34.5–44.5% dry weight, demonstrating reduced reliance on purified sugars. Beyond carbohydrate valorization, ChCl:LA pretreatment enabled high-purity lignin recovery (>89%) in a lignin-first strategy. Structural analyses (2D-HSQC and ³¹P NMR) showed syringyl (78.15%), guaiacyl (15.15%), and p-hydroxyphenyl (6.41%) units, with higher phenolic hydroxyl content (0.91 mmol/g) and a lower S/G ratio (0.19) than HT lignin (0.87 mmol/g, S/G 0.22). These attributes favor downstream lignin depolymerization into low-molecular-weight aromatics. Overall, NADES pretreatment simultaneously enhances microbial lipid yields and recovers high-quality lignin, advancing the economic feasibility of renewable diesel and sustainable aviation fuel (SAF) production from bioenergy crops within an integrated biorefinery framework.

2D HSQC↗
DOE OSTI2023

Multiplexed fitness profiling by RB-TnSeq elucidates pathways for lignin-related aromatic catabolism in Sphingobium sp. SYK-6

Bioconversion of lignin-related aromatic compounds relies on robust catabolic pathways in microbes. Sphingobium sp. SYK-6 (SYK-6) is a well-characterized aromatic catabolic organism that has served as a model for microbial lignin conversion, and its utility as a biocatalyst could potentially be further improved by genome-wide metabolic analyses. To this end, we generate a randomly barcoded transposon insertion mutant (RB-TnSeq) library to study gene function in SYK-6. The library is enriched under dozens of enrichment conditions to quantify gene fitness. Several known aromatic catabolic pathways are confirmed, and RB-TnSeq affords additional detail on the genome-wide effects of each enrichment condition. Selected genes are further examined in SYK-6 or Pseudomonas putida KT2440, leading to the identification of new gene functions. The findings from this study further elucidate the metabolism of SYK-6, while also providing targets for future metabolic engineering in this organism or other hosts for the biological valorization of lignin.

09 BIOMASS FUELS↗
DOE OSTI2023

Early age hydration behavior of portland cement-based binders incorporating fly ash contaminated with flue gas desulfurization products

Fly ash co-mingled with flue gas desulfurization (FGD) products are currently discarded as off-specification materials based on their high SO3 content. However, previous studies have shown that performance of these fly ashes varies significantly based on FGD product type and as such they may be viable for use in low-CO2 concrete as supplementary cementitious materials (SCMs). In this study, fly ashes with three different types of FGD products including calcium sulfite hemihydrate, calcium sulfate (with some unreacted lime), and sodium sulfate (with some unreacted sodium carbonate) were evaluated. The early age hydration behavior in blended cementitious systems at 20% cement replacement level was studied using Vicat setting time tests, isothermal calorimetry, in-situ quantitative X-ray diffraction, and pore solution analysis. The cause of the setting time retardation and flash setting observed in fly ashes with calcium sulfite hemihydrate and sodium carbonate, respectively, were identified and suitable beneficiation options were suggested for the valorized use of these materials in low-CO 2 concrete.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomistic origins of biomass recalcitrance in organosolv pretreatment

Separation of lignocellulosic biomass components for use in sustainable energy and biomaterials applications remains challenging, since biopolymers such as cellulose and hemicellulose carbohydrates and polyaromatic lignin are found in close proximity within the plant secondary cell wall. Organic solvents have been used to pretreat recalcitrant biomass and separate the interacting polymers, solubilizing the lignin fraction for lignin-first valorization approaches. However, no single organosolv pretreatment approach has proven superior for heterogeneous biomass samples. Here we present a complementary atomic view of interactions between biomass components using molecular simulations, specific to lignin and cellulose, resolving mechanistic hypotheses for how lignin-cellulose composition influences separation processes. Further, using lignin-cellulose binding free energy calculated using molecular simulations, we find polar protic solvents such as methanol and ethanol separate lignin from cellulose, irrespective of the charge on the lignin monomer. Aprotic organic solvents (DMSO, THF, 1,4-dioxane) separate uncharged lignin (phenols and monolignols) from cellulose, while charged lignin (cinnamates) prefer binding to cellulose.

09 BIOMASS FUELS↗
DOE OSTI2024

Characterization of coal extracts and their performances as binder for new carbon-based structural units

Coal production and usage have been declining in the past decade due to the transition to renewable energies, environmental regulations to reduce environmental pollution due to direct coal combustion from coal-fired power stations, and administrative policies. This downturn has created tremendous challenges for the coal industry, and many states rely on revenue from coal mining. Developing new valorization routes with high coal demand is essential and using coal-derived materials to make engineered products does offer an eco-friendly, attractive, and value-added use. This paper presents a brief introduction to the extraction process to derive coal deposits, extracts, and residuals (CDERs) and a comprehensive characterization analysis to determine the suitability of CDERs as binders to produce an innovative construction material named the carbon-based structural unit (CSU). CDERs are used to prepare the CSU with or without using mesophase pitch (MP) as binders and selected CDERs are heat-treated and pressure-heat-treated to improve their binding capabilities. The performances of the CSU specimens are evaluated based on compressive strength, density, and thermal conductivity. The CSU specimens mixed with distilled residue (DR) to pyrolysis char (PC) ratio of 1:2 achieve a compressive strength of 54.85 MPa, which is higher than the compressive strength of 30 MPa of normal concrete. The CSU specimens with deposit (De) and tetralin insoluble (TI) require the addition of MP to obtain compressive strengths greater than 30 MPa. Furthermore, these CSU specimens possess a relatively low density of about 1 g/cm 3 and low thermal conductivity of less than 0.25 W/m.K.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Bioconversion of renewable feedstocks by Rhodococcus opacus

The production of fuels and chemicals from renewable feedstocks is necessary for a fossil fuel independent economy. Lignin and other industrial wastes represent sustainable, non-food feedstocks that can be tapped for microbe-based bioproduction. Rhodococcus opacus is a gram-positive bacterium capable of catabolizing a broad range of feedstocks, and recent technological advances have further established its potential for lignin and industrial waste valorization. In the process of developing R. opacus as a platform for bioproduction, metabolic profiling has elucidated its native mechanisms of bioconversion, adaptive evolution has enhanced its tolerance towards inhibitory feedstocks, and genetic engineering has enabled it to produce novel products, such as wax esters, free fatty acids, and long chain hydrocarbons. Furthermore, we present recent examples of broad feedstock utilization and value-added chemical production by R. opacus , demonstrating its potential as an industrially-relevant strain.

09 BIOMASS FUELS↗
DOE OSTI2021

Chain elongators, friends, and foes

Bioproduction of medium chain carboxylic acids has recently emerged as an alternative strategy to valorize low-value organic waste and side-streams. Key to this route is chain elongation, an anaerobic microbial process driven by ethanol, lactic acid, or carbohydrates. Additionally, because these technologies use wastes as feedstocks, mixed microbial communities are often considered as biocatalysts. Understanding and steering these microbiomes is key to optimize bioprocess performance. From a meta-analysis of publicly available sequencing data, we (i) explore how the current collection of isolated chain elongators compares to microbiome members, (ii) discuss the main beneficial and antagonistic interactions with community partners, and (iii) identify the key research gaps and needs to help understand chain elongation microbiomes, and design/steer these novel bioproduction processes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Upstream considerations for gas fermentation processes

Gas fermentation enables the production of fuels, chemicals, and foods from gaseous carbon sources and could serve as a technology for valorizing carbon that may otherwise be emitted to the atmosphere. In this review, we focus on upstream feedstock considerations: the supply of carbon and the supply of electrical power. Electrical power serves a dual role, providing both process energy and biochemical redox potential (via hydrogen or reduced intermediates). We define gas fermentation as bioprocesses involving gaseous feedstocks metabolized by microbes, distinct from microbial electrosynthesis. Trends in CO 2 point sources and low-carbon electricity systems are analyzed, highlighting opportunities and challenges for future deployment. This review synthesizes current knowledge and identifies key R&D priorities for process integration at industrial scale.

09 BIOMASS FUELS↗