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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

Abstract Hierarchical self‐assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular‐level understanding of the hierarchical assembly of sequence‐defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron‐based powder X‐ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence‐defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

Shao, Li↗
DOE OSTI2024

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

Abstract Hierarchical self‐assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular‐level understanding of the hierarchical assembly of sequence‐defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron‐based powder X‐ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence‐defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

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

Cu‐Catalyzed Aerobic Oxidative C─C Cleavage in Lignin‐Derived Oligomers and Biological Funneling of the Monomeric Products

Existing methods for lignin deconstruction to aromatic monomers primarily cleave carbon–oxygen bonds within the polymer, resulting in sub-optimal monomer yields and formation of oligomers that retain intact carbon–carbon bonds. Here, we demonstrate that copper-catalyzed aerobic oxidation under aqueous alkaline conditions promotes oxidative cleavage of carbon–carbon bonds in lignin oligomers derived from reductive catalytic fractionation (RCF) of pine and poplar biomass. Fundamental insights are gained from reactions of model compounds that resemble subunits present in RCF oligomers. Optimal results are achieved in a flow reactor that provides precise control over O2 delivery, temperature, and reaction residence time. The Cu-catalyzed aerobic oxidation conditions access aromatic monomers in 19 and 34 wt% monomer yields, respectively, from pine- and poplar-derived RCF oligomers. Overall, the sequence consisting of biomass RCF into monomers and oligomers followed by oxidative deconstruction of the RCF oligomers generates substantially higher yields of aromatic monomers from lignin. Engineered strains of Pseudomonas putida support biological funneling of the oligomer-derived oxygenated aromatic compounds into cis,cis-muconic acid from pine or 2-pyrone-4,6-dicarboxylic acid from poplar.

09 BIOMASS FUELS↗
DOE OSTI2024

Metal Phosphide Nanoparticles Generated via a Molecular Precursor Route for Hydrotreatment of Methyl Laurate

Transition metal phosphide nanoparticles supported on silica were used as catalysts to investigate the hydrodeoxygenation of methyl laurate (used as a model compound for vegetable oils). Ni 2 P, Ni 1 Mo 1 P, and Ni 1.6 Mo 0.4 P were synthesized using a molecular precursor route. The nanoparticles were added to the silica support without any changes in their structure or particle size. As a reference and for comparison, MoP/SiO 2 was also prepared by the phosphite method. The prepared catalysts were characterized by X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and chemical analysis. A higher conversion is reached with the MoP/SiO 2 monometallic catalyst, close to that with Ni 1 Mo 1 P/SiO 2 . However, this observation is misleading because the differences in dispersion obscure the result that the intrinsic activity (turnover frequency) of the bimetallic catalyst, prepared by a molecular precursor route, is significantly higher than that of the monometallic catalyst, prepared by the phosphite route, revealing a synergistic effect on the catalytic activity due to the formation of the bimetallic phosphide.

09 BIOMASS FUELS↗
DOE OSTI2023

Pertechnetate/perrhenate–capped Zr/Hf–Dihydroxide Dimers: Elucidating Zr–TcO 4 Co–Mobility in the Nuclear Fuel Cycle

Spent nuclear fuel contains heavy element fission products that must be separated for effective reprocessing for a safe and sustainable nuclear fuel cycle. 93 Zr and 99 Tc are high-yield fission products that co-transport in liquid-liquid extraction processes. Here we seek atomic-level information of this co-extraction process, as well as fundamental knowledge about Zr IV (and Hf IV ) aqueous speciation in the presence of topology-directing ligands such as pertechnetate (TcO 4 – ) and non-radioactive surrogate perrhenate (ReO 4 – ). In this context, we show that the flat tetrameric oxyhydroxyl-cluster [M IV 4 (OH) 8 (H 2 O) 16 ] 8+ (and related polymers) is dissociated by perrhenate/pertechnetate to yield isostructural dimers, M 2 (OH) 2 (XO 4 – ) 6 (H 2 O) 6 • 3H 2 O (M=Zr/Hf IV ; X=Re/Tc VII ), elucidated by single-crystal X-ray diffraction. We used these model compounds to understand the pervasive 93 Zr- 99 Tc coextraction with further speciation studies in water, nitric acid, and tetrabutylphosphate (TBP) -kerosene; where the latter two media are relevant to nuclear fuel reprocessing. SAXS (small angle X-ray scattering), compositional evaluation, and where experimentally feasible, ESI-MS (electrospray ionization mass spectrometry) showed that perrhenate/pertechnetate influence Zr/Hf IV -speciation in water. Here, in Zr-XO 4 solvent extraction studies to simulate fuel reprocessing, we provide evidence that TcO 4 – enhances extraction of Zr IV , and compositional analysis of the extracted metal-complexes (Zr-ReO 4 study) is consistent with the crystallized Zr IV 2 (OH) 2 (Re VII O 4 – ) 6 (H 2 O) 6 •dimer.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2021

Advances in versatile nanoscale catalyst for the reductive catalytic fractionation of lignin

In the past five years, biomass derived-biofuel and biochemicals were widely studied both in academia and industry as a promising alternative to petroleum. In this review article, the latest progress of the synthesis and fabrication of porous nano-catalysts that are used in catalytic transformations involving hydrogenolysis of lignin is reviewed in terms of their textural property, catalytic activity, and stability. A particular emphasis is dedicated to the catalyst design for the hydrogenolysis of lignin and/or lignin model compounds. Furthermore, the effects of different supports on the lignin hydrogenolysis/hydrogenation are discussed in detail. Finally, the challenges and future opportunities of lignin hydrogenolysis over nanomaterials supported catalysts are also presented.

09 BIOMASS FUELS↗
DOE OSTI2021

Electrochemical Activation of C–C Bonds via Mediated Hydrogen Atom Transfer Reactions

Activating inert sp 3 -sp 3 carbon-carbon (C-C) bonds remains a major bottleneck in the chemical upcycling of recalcitrant polyolefin waste. Here, we use redox mediators to activate the inert C-C bonds. Specifically, we use N -hydroxyphthalimide (NHPI) as the redox mediator that is oxidized to phthalimide- N -oxyl (PINO) radical to initiate hydrogen atom transfer (HAT) reactions with benzylic C-H bonds. The resulting carbon radical is readily captured by molecular oxygen to form a peroxide that decomposes into oxygenated C-C bond-scission fragments. This indirect approach reduces the oxidation potential by > 1.2 V compared to the direct oxidation of the substrate. Studies with model compounds revealed the selectivity of C-C bond cleavage increases with decreasing C-C bond dissociation energy. With NHPI-mediated oxidation, oligomeric styrene ( M n = 510 Da, OS 510 ) and polystyrene (PS, ~10,000 Da) were converted into oxygenated monomers, dimers, and oligomers.

09 BIOMASS FUELS↗
DOE OSTI2025

Renewable diesel and bio-aromatics production from waste cooking oil using ethanol as a hydrogen donor in deoxygenation reaction

Biofuels offer a promising solution in the fight against climate change. With a global increase in waste cooking oil, this research investigated the production of bio-hydrogenated diesel (BHD) from waste cooking oil, using ethanol as a hydrogen donor in the deoxygenation process. A hydrolyzed waste cooking oil model compound served as the feedstock, and the deoxygenation was performed at 300–400 °C. The catalysts used in the experiments were 2.6 wt% Ni and 7.8 wt% Mo (2.6Ni-7.8Mo) and 10 wt% Ni and 5 wt% Mo (10Ni-5Mo) on γ-Al 2 O 3 . The results showed that ethanol is an effective hydrogen donor for biofuel production without the need for external hydrogen at an elevated pressure. The increasing temperature enhanced the free fatty acid (FFA) conversion and n-alkane selectivity in the oil product, with the highest FFA conversion and alkane selectivity of 100 % and 46 %, respectively, observed at 400 °C for the sulfided 10Ni-5Mo catalyst. On the other hand, 2.6Ni-7.8Mo offers 100 % FFA conversion with a lower n-alkane selectivity of 35 % at identical temperatures. The total acid number (TAN) of the oil products decreased from 174.03 mg KOH/g of feedstock to 9.43 and 8.67 mg KOH/g with the sulfided 2.6Ni-7.8Mo and 10Ni-5Mo catalysts, respectively. Both the catalysts achieved similar heating values (~43 MJ/kg) at 400 °C. This is a significant improvement to the HHV of the feedstock, which was 36.02 MJ/kg. Additionally, aromatic compounds, mainly BTXE (benzene, toluene, xylene, and ethylbenzene), were also produced. Compared to glycerol as a hydrogen donor, ethanol more effectively increased n-alkane selectivity due to its higher effective hydrogen-to-carbon ratio (H/C eff ). Conversely, glycerol was more advantageous for achieving greater selectivity towards BTXE compounds due to its lower H/C eff , which potentially leads to coke formation. Since aromatic compounds are intermediates in coke production, glycerol provides higher aromatic selectivity than ethanol. Finally, this study presents an alternative pathway for producing diesel fuel from waste cooking oil using ethanol as a hydrogen donor.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Accelerating Catalyst Development for Biofuel Production through Multiscale Catalytic Fast Pyrolysis of Biomass over Mo2C

Advanced catalytic materials play an enabling role in producing renewable fuels and chemicals from biomass, thereby helping meet the global climate-change goals set forth by the Intergovernmental Panel on Climate Change. Herein, we present a multiscale approach to accelerate the catalyst-process development cycle for catalytic fast pyrolysis (CFP) of biomass over Mo2C. Mo2C has been shown to possess co-localized acidic and metallic sites and exhibit high activity for deoxygenation of biomass pyrolysis model compounds. However, critical knowledge gaps remain regarding the effectiveness of this catalyst for CFP of whole biomass. We address these knowledge gaps and demonstrate that Mo2C is effective at deoxygenating biomass-pyrolysis products in the presence of H2 but that it undergoes rapid selective and non-selective deactivation. The knowledge gaps addressed from this integrated study, targeting appropriate experiments across scales and feed types, enabled identification of critical modifications for advancing the CFP catalyst-process development cycle.

biofuels↗
DOE OSTI2025

Spatially resolved X-ray imaging and molecular characterisation of sulfur and iron in organic- and sulfur-rich hydrocarbon source mudstones

Sulfurisation of organic matter (OM) is a prominent preservation mechanism, however iron sulfide precipitation, particularly pyrite (FeS2), can counteract this mechanism. There is a dearth of high-resolution, spatially-resolved spectroscopic (redox) information on sulfur and iron inventories within organic-rich rocks that would improve our understanding of prevailing environmental conditions during deposition. Here, state-of-the-art synchrotron-based X-ray absorption and fluorescence analyses of key organic- and sulfur-rich mudstones demonstrate the potential of these techniques to non-destructively map and produce detailed spectroscopic information. Detailed high-resolution analyses (μm- to mm-scale) reveal the presence of widespread sulfurised OM in the Blackstone Band of the Kimmeridge Clay Formation, in line with a persistence of euxinia over a long temporal span and low reactive iron input, facilitating the preservation of OM through sulfurisation. In contrast, the presence of sulfurised OM was transitional in the Monterey Formation, consistent with fluctuating water column redox conditions, and is less significant in the Whitby Mudstone Formation, likely due to the high reactive iron concentrations outcompeting sulfurised OM formation. Analyses of sulfur species using model compounds further indicate that the Whitby Formation is strongly enriched in inorganic reduced sulfur minerals, while both the Kimmeridge Clay and Monterey Formations are dominated by organic sulfur species. These synchrotron-based observations improve our understanding of environmental conditions during the time of deposition of these mudstones and thus show great promise in the study of organic-rich sediments, especially in allowing their depositional settings to be more accurately reconstructed.

Kimmeridge Clay Formation↗
DOE OSTI2022

Performance of biochar assisted catalysts during hydroprocessing of non-edible vegetable oil: Effect of transition metal source on catalytic activity

Biochar-supported catalysts were developed from nickel (Ni) - and cobalt (Co)- nitrates and hydroxides and tested for the hydrotreatment of carinata oil. Nitrate-based (from water-soluble salts) and hydroxide-based (from water-insoluble salts) catalysts of Ni and Co were prepared via wetness impregnation and aqueous dispersion methods, respectively. The catalysts were characterized using various tools such as, confocal XRF, BET specific surface area analyzer, NH3-TPD, and SEM-EDS. Synchroton method showed nitrate-sourced metals were dispersed mostly in the pores while, the hydroxide-sourced metals were distributed mainly on the catalyst surface. C = C saturation and cracking of triglycerides, decarboxylation, and hydrogenation of aromatic structures appeared to be dominant on the hydroxides of transition metals, hence took place on catalyst surface. Methanation and dehydrogenation (thus aromatization), however, seemed to be a pore phenomenon, catalyzed more over nitrate-based catalysts. A reaction network was proposed based on chemical analysis of upgraded carinata oil and erucic acid model compound. Catalytic cracking followed by hydrotreatment performed better in terms of fuel properties than other approaches in this study.

Biochar catalysts↗
DOE OSTI2024

Sustainable valorization of waste tires: Selective hydrotreating for renewable p-cymene production

The escalating global concern over waste tire management driven by the surge in automobiles necessitates sustainable and innovative solutions. Here, this study posits a novel approach by introducing a selective catalytic hydrogenation and dehydrogenation process using a tandem two-stage pressurized fixed-bed reactor, aiming to convert waste tires into valuable sulfur-free p-cymene. The experimental results indicate that among the studied catalysts including Pt/C, Pd/C, Ru/C, and Ni/Al 2 O 3 -SiO 2 , the Pd/C exhibits concomitant hydrogenation and dehydrogenation functionalities, achieving full conversion and displaying 100 % selectivity towards p-cymene from limonene model compound. Furthermore, the Pd/C catalyst demonstrates remarkable efficiency in converting real-world waste tires into p-cymene, yielding up to 134.8 mg/g at optimal conditions. Importantly, this catalyst also facilitates complete hydrodesulfurization activity, addressing environmental concerns by producing sulfur-free liquid products. This innovative method not only optimizes p-cymene synthesis from waste tires but also contributes to environmental sustainability, showcasing both economic and ecological viability.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Losses of CO and CO 2 upon collision-activated dissociation of substituted 2-methoxyphenoxides after methyl radical loss

Some deprotonated, substituted 2-methoxyphenols fragment by methyl radical loss followed by competing losses of CO and CO 2 upon collisional activation in linear quadrupole ion trap mass spectrometers. These reactions were examined experimentally and computationally in order to determine their mechanisms. For deprotonated vanillin, the CO loss was found to involve ring contraction, with the highest free energy barrier of 58.0 kcal mol -1 (for the syn rotamer; here, syn refers to the relationship between the aldehyde oxygen atom and the oxygen atom of the methoxy group) for the entire process. The atoms lost in this fragmentation are the oxygen atom that was bound to the first eliminated methyl group and the aromatic carbon atom bound to this oxygen. Examination of carbon-13 labeled vanillin supports these assignments. Examination of several model compounds revealed that this reaction requires the presence of an electron-withdrawing substituent in the para-position relative to the phenol moiety. In contrast, the CO 2 loss from deprotonated vanillin occurs via ring opening followed by re-cyclization and then ring contraction, leading to the loss of CO 2 in a process wherein the highest free energy barrier is 84.5 kcal mol -1 (for the syn isomer). The atoms lost in this fragmentation are the carbon and oxygen atoms from the phenoxide group and the oxygen atom that was bound to the first eliminated methyl group, which is supported by examination of carbon-13 labeled vanillin. Despite the higher total free energy requirement, the CO 2 loss is competitive with CO loss, possibly due to favorable entropy and low activation energy (free energy barrier of 48.9 kcal mol -1 ) for the first reaction step (the analogous value for CO loss is 58.0 kcal mol -1 ). The extent of CO 2 loss is strongly affected by substituents – it either is not observed or is very slow for the other compounds studied here. For example, it is substantially less favorable than CO loss (highest free energy barrier 60.9 kcal mol -1 ) for deprotonated acetovanillone for which the first reaction step for CO 2 loss has a substantially greater free energy barrier (60.6 kcal mol-1) than for vanillin.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Microwave-induced selective decomposition of cellulose: Computational and experimental mechanistic study

Understanding microwave-material interactions will help facilitate the utilization of microwave technology in gasification and renewable energy production. In this study, cellulose was used as a model compound to simulate the organic matter in biomass, and its catalytic decomposition under a microwave (MW) field was studied to identify structural changes from the reaction. The study was conducted using a MW source coupled to a fixed-bed gas-flow reactor, mass spectroscopic, and Fourier transform infrared spectroscopy post-reaction analysis. Zeolite 13X was chosen as a microwave absorber to study the catalytic enhancement of the decomposition of cellulose. Density functional theory (DFT) was used to gain insights into the molecular transformations occurring in the presence of a static electric field, which was used to simulate the electric field component of the microwave electromagnetic radiation. Theoretical calculations demonstrated that both the positive and negative portion of the electric field interact with the permanent dipoles of the cellulose effecting the decomposition through the glycosidic bond breaking mechanism. The theoretical result was verified using infrared spectroscopic analysis of the pure cellulose during microwave heating. The theoretical calculations suggest only the positive electric field component may be active for the cellulose decomposition in the presence of Zeolite 13X. Physically mixing Zeolite 13X with the cellulose led to a significant enhancement in the decomposition rate of the glycosidic bond. Zeolite 13X enhanced the glycosidic O-C decomposition at lower MW power (lower temperatures), whereas the O-H functional group required higher MW power (higher temperature) for its decomposition. The DFT study coupled with the reaction studies revealed that the electric field polarizability is dependent upon both the direction and the orientation of the cellulose. Gas products revealed that applying 250 W of MW power led to the production of CO, H 2 , along with some CO 2 , CH 4 , and benzene at 305 °C. Finally, reaction under 500, 750, and 1000 W of power at constant temperature (305 °C) revealed that higher power led to the complete decomposition of cellulose to mostly CO, H 2 , and CO 2 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Production, isolation, and shipment of clinically relevant quantities of astatine-211: A simple and efficient approach to increasing supply

The alpha emitter astatine-211 ( 211 At) is a promising candidate for cancer treatment based on Targeted Alpha (α) Therapy (TAT). A small number of facilities, distributed across the United States, are capable of accelerating α-particle beams to produce 211 At. However, challenges remain regarding strategic methods for shipping 211 At in a form adaptable to advanced radiochemistry reactions and other uses of the radioisotope. Purpose: Our method allows shipment of 211 At in various quantities in a form convenient for further radiochemistry. Procedures: For this study, a 3-octanone impregnated Amberchrom® CG300M resin bed in a column cartridge was used to separate 211 At from the bismuth matrix on site at the production accelerator (Texas A&M) in preparation for shipping. Aliquots of 6 M HNO 3 containing up to ≈2.22 GBq of 211 At from the dissolved target were successfully loaded and retained on columns. Exempt packages (<370 MBq) were shipped to a destination radiochemistry facility, University of Texas MD Anderson Cancer Center, in the form of a convenient air-dried column. Type A packages have been shipped overnight to University of Alabama at Birmingham. Main findings: Air-dried column hold times of various lengths did not inhibit simple and efficient recovery of 211 At. Solution eluted from the column was sufficiently high in specific activity to successfully radiolabel a model compound, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (1), with 211 At. The method to prepare and ship 211 At described in this manuscript has also been used to ship larger quantities of 211 At a greater distance to University of Alabama at Birmingham. Principal conclusions: The successful proof of this method paves the way for the distribution of 211 At from Texas A&M University to research institutions and clinical oncology centers in Texas and elsewhere. Finally, use of this simple method at other facilities has the potential increase the overall availability of 211 At for preclinical and clinical studies.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2025

Advancing sustainable aviation fuel with high-energy-density bicycloalkanes production from corn stover mixed sugars

Bicycloalkanes stand out as a replacement for aromatics from conventional jet fuel (CJF) because of their high energy density and lower freezing point. Most reports to date have focused on synthesizing bicycloalkanes using model compounds or single sugar components of lignocellulose. Here, we utilize all lignocellulosic sugars of corn stover (CS) to produce bicycloalkanes. First, furfural (FFR) and 5-hydroxymethyl furfural (5-HMF) are produced via acid-catalyzed dehydration, achieving combined FFRs molar yields ranging from 65% to 73%, respectively. The resulting FFRs are converted to cyclopentanones with molar yields within the range of 57%–63% via hydrogenation and Piancatelli rearrangement. Further aldol condensation of cyclopentanones yields C 10 -C 12 oxygenates with 80 mol %. Lastly, these oxygenates are directly hydrodeoxygenated to bicycloalkanes in a yield of 83.8 mol %. The resulting bicycloalkanes exhibit tier α fuel properties consistent with Jet A fuel (CJF) specifications and blend compatibility with CJF at a 37% volumetric ratio.

09 BIOMASS FUELS↗
DOE OSTI2021

Global Gas-Phase Oxidation Rates of Select Products from the Fast Pyrolysis of Lignocellulose

The oxidation kinetics for products of fast pyrolysis at low temperatures (<600°C) are not well known. These will be important in effort to model autothermal pyrolysis, which has been recently developed to intensify the process, but which occurs at much lower temperatures than combustion. Furthermore, this study determines global oxidation rates at 400-600°C for three important products of fast pyrolysis: levoglucosan, xylose, and acetic acid. Experiments were performed in a fluidized bed pyrolyzer with the reactor modeled as a series of CSTRs and PFRs to determine reaction rates. Oxidation rates at 500°C for the three model compounds varied by a factor of ten.

09 BIOMASS FUELS↗
DOE OSTI2022

Effect of Solvent Quality on Structure and Dynamics of Lignin in Solution

The conversion of lignin into useful chemicals and monomers requires that different linkages connecting monomers are exposed to the catalytic sites. As most conversion processes are expected to occur in the liquid phase, it is important to understand the structure and dynamics of lignin in solution. Here, we have examined the structure and dynamics of hardwood- and softwood-derived lignin model compounds with 61 monomers in methanol/water solution.

09 BIOMASS FUELS↗