Thermochemical Characterization and Kinetics of Biomass, Municipal Plastic Waste, and Coal Blends and Their Potential for Energy Generation via Gasification
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Results for “Biomass Analytics”
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Heterogeneous Diels–Alder tandem catalysis for converting cellulose and polyethylene into BTX
Producing biomass-derived aromatic hydrocarbons via controllable Diels–Alder reactions is a promising approach to recover energy and chemicals from waste streams. A tandem Diels–Alder catalysis consisting of SAPO-34 and Fe/HZSM-5 (stacked catalysis or mixed catalysis) was evaluated for thermochemical conversion of cellulose and polyethylene blends into benzene, toluene, and xylenes (BTX). Aromatization catalyst type significantly affected the activity of tandem catalysis, and the BTX obtained from the HZSM-5 stacked catalysis was ~2.3 times higher than that of the USY stacked one. An introduction of Fe active promoters into HZSM-5 increased the Lewis to Brønsted acid sites molar ratio (L/B) from 0.4 to 4.1. The comparison between Fe/HZSM-5 stacked catalysis and parent HZSM-5 single catalysis indicated that the former was more effective for BTX production, obtaining a nearly two-fold increase in yield with a high selectivity of 82.8%. A close proximity between Fe/HZSM-5 and SAPO-34 in the mixed catalysis increased the BTX enhancement to 1.8. A synergistic effect was provided by the coordination of Lewis and Brønsted acid sites in the Fe/HZSM-5 mixed catalysts for facilitating BTX generation, achieving a maximum of 25.9% at a Fe/HZSM-5 to SAPO-34 mass ratio of 1:1 with a theoretical L/B of 7.2. Finally, this work provides a sustainable strategy to produce biomass-derived aromatic hydrocarbons.
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Reducing Solvent Consumption in Reductive Catalytic Fractionation through Lignin Oil Recycling
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Biomass for Carbon Removal and Storage (BiCRS) Biomass and Bioproduct Data Table
The Biomass for Carbon Removal and Storage (BiCRS) Biomass and Bioproduct Data Table was generated using data from biomass and bioproducts (i.e., biochar, pyrolysis oil) supplied by BiCRS project developers. Data was obtained via analytical characterization methodologies listed in the document at the National Laboratory of the Rockies.
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Seawater Desalination Derived Entirely from Ocean Biomass
Solar-driven interfacial evaporation shows great prospects for seawater desalination with its rapid fast evaporation rate and high photothermal conversion efficiency. Here, a sustainable, biodegradable, non-toxic, and highly efficient full ocean biomass-based solar-driven evaporator is reported, which is composed of chitosan (CS) hydrogel as the hydratable skeleton and cuttlefish ink (CI) as the photothermal material. Under solar irradiation, the cuttlefish ink powder harvests solar energy and heats the surrounding water. Simultaneously, the water in the three-dimensional network of chitosan hydrogel is rapidly replenished by the interconnected porous structure and the hydrophilic functional groups attached to the polymer chains. With its enlarged evaporation surface, high solar absorptance, adequate water transportation, good salt drainage, and heat localization, the CI/CS-based evaporator achieves a remarkable evaporation rate of 4.1 kg m-2 h-1 under one sun irradiance (1 kW m-2) with high-quality freshwater yields. This full ocean biomass-based evaporator with abundant raw material availability provides new possibilities for an efficient, stable, sustainable, and environmentally friendly solar evaporator with guaranteed water quality.
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Prospects of hydrogen cogeneration and carbon dioxide utilization in electrochemical refineries for ethylene production via oxidative coupling of methane: A techno-economic assessment
Ethylene is recognized as one of the most significant chemicals globally. The projected ethylene production for 2023 stands at 227.6 million tonnes, with expectations of continued demand growth. The primary use of ethylene, accounting for over 76%, lies in the production of plastics such as polyethylene, polyvinyl chloride, and polystyrene. Despite the enduring carbon retention potential of plastics themselves, traditional ethylene feedstock production from fossil resources contributes substantially to greenhouse gas emissions, ranging from 0.29 to 2.29 kg CO2 /kg Ethylene depending on various factors like feedstock and process design. Various decarbonization strategies, including the utilization of hydrogen as a primary heat source, have been proposed to reduce the carbon footprint of ethylene production, but their efficacy remains limited, offering at best a 0–30% reduction in on-site CO 2 emissions.
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Effect of water models on structure and dynamics of lignin in solution
Lignin, a major biomass component, can be an excellent source for different monomers in the polymer industry. However, the complex and heterogeneous structure of lignin poses a significant challenge for designing energy-efficient processes for depolymerization. As many proposed depolymerization processes are solvothermal, it is essential to understand the structure and dynamics of lignin in solution, in particular aqueous solution. Here, we utilize molecular dynamics simulations to understand the effect of water models on the structure and dynamics of different model lignin oligomers (softwood and hardwood) as a function of temperature. We have examined three different water models: TIP3P, TIP4P/Ew, and flexible SPC/Fw. We find that the diffusion constant of lignin oligomers in an aqueous solution differs significantly depending on the water model used. The diffusion constant of lignin in the TIP3P water model is almost twice as large as that in SPC/Fw and TIP4P/Ew. The softwood and hardwood oligomers adopt an extended structure in TIP3P water compared to SPC/Fw and TIP4P/Ew. Given the different levels of sensitivity of transport and structural properties of aqueous lignin on water models, it is important to take these into account when discussing results from a specific water model.
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Supercharged cellulases show superior thermal stability and enhanced activity towards pretreated biomass and cellulose
Non-productive binding of cellulolytic enzymes to various plant cell wall components, such as lignin and cellulose, necessitates high enzyme loadings to achieve efficient conversion of pretreated lignocellulosic biomass to fermentable sugars. Protein supercharging was previously employed as one of the strategies to reduce non-productive binding to biomass. However, various questions remain unanswered regarding the hydrolysis kinetics of supercharged enzymes towards pretreated biomass substrates and the role played by enzyme interactions with individual cell wall polymers such as cellulose and xylan. In this study, CBM2a (from Thermobifida fusca ) fused with endocellulase Cel5A (from T. fusca ) was used as the model wild-type enzyme and CBM2a was supercharged using Rosetta, to obtain eight variants with net charges spanning -14 to +6. These enzymes were recombinantly expressed in E. coli , purified from cell lysates, and their hydrolytic activities were tested against pretreated biomass substrates (AFEX and EA treated corn stover). Although the wild-type enzyme showed greater activity compared to both negatively and positively supercharged enzymes towards pretreated biomass, thermal denaturation assays identified two negatively supercharged constructs that perform better than the wild-type enzyme (~3 to 4-fold difference in activity) upon thermal deactivation at higher temperatures. To better understand the causal factor of reduced supercharged enzyme activity towards AFEX corn stover, we performed hydrolysis assays on cellulose-I/xylan/pNPC, lignin inhibition assays, and thermal stability assays. Altogether, these assays showed that the negatively supercharged mutants were highly impacted by reduced activity towards xylan whereas the positively supercharged mutants showed dramatically reduced activity towards cellulose and xylan. It was identified that a combination of impaired cellulose binding and lower thermal stability was the cause of reduced hydrolytic activity of positively supercharged enzyme sub-group. Overall, this study demonstrated a systematic approach to investigate the behavior of supercharged enzymes and identified supercharged enzyme constructs that show superior activity at elevated temperatures. Future work will address the impact of parameters such as pH, salt concentration, and assay temperature on the hydrolytic activity and thermal stability of supercharged enzymes.
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Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa
Corresponding Standard Reference Material Data used in Partial Least Squares Regression Models for Sugar Composition Estimates in Biomass in: Economic Impact of Yield and Composition Variation in Bioenergy Crops: Populus trichocarpa (for corresponding manuscript: DOI: 10.1002/bbb.2148) PDF Files: Images of 1H NMR spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum). Suppression of the water peak was achieved using a NOESY-1D with presaturation, a recycle delay of 5 s, and a total of 64 scans. Spectra were acquired at 298 K and processed with automatic phase correction, baseline correction, and chemical shift referencing to TSP-d4. Images show all 1H data from 10 to 1ppm with inset spectra of region of interest (4.0 to 3.1 ppm). Text Files: Spectra for neutralized 2-stage acid hydrolysates of 4 NIST Standard Reference Material biomass samples (Monterey Pine 8493, Sugarcane Bagasse 8491, Wheat Straw 8494, and Eastern Cottonwood/Poplar 8492) and 2 Center for Bioenergy Innovation reference biomass samples (Poplar - Populus trichocarpa and Switchgrass - Panicum Virgatum) were converted into text files for plotting. Files contain 8192 points of raw spectral data from 12.23 to -2.78 ppm. The text file contains 4 columns of data and includes: Point number, Intensity, Hz, and ppm. Xcel Spreadsheet: HPLC measured monomeric sugar concentrations and bucketed 1H NMR data used to build monomeric sugar composition prediction models. Sugar composition in biomass determined from HPLC analyses are given in mg sugar/mg of biomass. Spectral bucketing was performed using Bruker’s AMIX software. Spectra were divided into 0.005 ppm buckets in the region of 3.10– 4.15 ppm for a total of 210 buckets. Headers for the bucketed data are the chemical shift in ppm of the center of the bucket. Bucketed data was used to build partial least squares models for subsequent predictions in The Unscrambler v. 10.5(CAMO A/S, Trondheim, Norway). The formation of methanol during hydrolysis interferes with the quantitative NMR analysis of sugars, so the methanol peak centered at 3.37 ppm and spanning four buckets (3.2925 – 3.2775 ppm) was set to zero for all spectra.
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Quantification of Native Lignin Structural Features with Gel–Phase 2D–HSQC 0 Reveals Lignin Structural Changes During Extraction
Our ability to study and valorize the lignin fraction of biomass is hampered by the fundamental and still unmet challenge of precisely quantifying native lignin's structural features. Here, we developed a rapid elevated-temperature 1 H– 13 C Heteronuclear Single-Quantum Coherence Zero (HSQC 0 ) NMR method that enables this precise quantification of native lignin structural characteristics even with whole plant cell wall (WPCW) NMR spectroscopy, overcoming fast spin relaxation in the gel phase. We also formulated a Gaussian fitting algorithm to perform automatic and reliable spectral integration. By combining HSQC 0 measurements with yield measurements following depolymerisation, we can confirm the combinatorial nature of radical coupling reactions during biosynthesis leading to a random sequential organization of linkages within a largely linear lignin chain. Such analyses illustrate how this analytical method can greatly facilitate the study of native lignin structure, which can then be used for fundamental studies or to understand lignin depolymerization methods like reductive catalytic fractionation or aldehyde-assisted fractionation.
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Simulations of biomass pyrolysis using glued-sphere CFD-DEM with 3-D intra-particle models
The shape of biomass particles influences intra-particle heat transfer, particle-particle collisions, interphase momentum, heat transfer, and pyrolysis yield. In this research, the effects of these multi-scale phenomena are captured using a glued-sphere computational fluid dynamic discrete element method (CFD-DEM) with 3-D intra-particle models. The glued-spheres resolved the shapes of particles and intra-particle temperature and species distributions. The implementation was validated using the pyrolysis data of a spherical particle and a cylindrical particle. Then, the influences of biomass shapes and sizes on pyrolysis were investigated. The results revealed the significant influence of surface areas and mass distributions on interphase heat transfer and chemical reactions. The intra-particle heat transfer is neglectable for a Biot number smaller than 0.41. Finally, the pyrolysis of irregularly shaped biomass particles in a fixed bed, fluidized bed, and spouted bed was simulated. Analysis of conversion distributions showed the largest deviations in the fixed bed and the slowest conversion rate in the spouted bed. A good balance between uniform and fast conversion is achieved in the fluidized bed. The multi-scale method proposed in this research provides a tool for the evaluation of large irregular-shaped biomass particle pyrolysis in different types of reactors.
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Co(salen)-Catalyzed Oxidation of Lignin Models to Form Benzoquinones and Benzaldehydes: A Computational and Experimental Study
Lignin is a highly abundant polyphenolic polymer that imparts mechanical strength to plant biomass. Transition-metal complexes can catalyze lignin oxidation to produce value-added products, but low catalytic efficiency has hampered their use in industry. Identifying the chemical and structural factors that govern catalytic activity is a prerequisite to rational design of catalysts with improved activity. In this study, we combine computational and experimental approaches to investigate the mechanism of Co(salen)-catalyzed oxidation of the monomeric lignin models syringyl (S), vanillyl (G), and 4-hydroxybenzyl alcohol (H) to produce benzoquinone and benzaldehyde products. Experimentally, S oxidation to form dimethoxybenzoquinone proceeded efficiently with a Co(salen) catalyst coordinated by a pyridine ligand, but G and H did not undergo oxidation. Density functional theory calculations reveal that catalyst regeneration is energetically unfavorable in the presence of H, which prevents oxidation. In contrast, S readily facilitates catalyst regeneration. Formation of methoxybenzoquinone from G was achieved experimentally by adding bulky, noncoordinating bases. These findings provide a fundamental baseline for enhancing the activity of Co-Schiff base catalysts toward lignin-like molecules by adding sterically hindered nitrogenous bases or potentially by including a cocatalyst that promotes catalyst regeneration.
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Determination of Carbon Functional Groups in Pyrolysis Bio-Oils using 13 C NMR: Laboratory Analytical Procedure (LAP)
Pyrolysis is a process that can be used to convert biomass to solid, liquid and gaseous products for use as renewable chemicals and fuels. The liquid fraction, known as “bio-oil” is complex and challenging to characterize, particularly by means of GC/MS, GPC, LC and FT-IR. NMR is capable of analyzing whole bio-oil samples and can provide quantitative results to characterize different functional groups or types of carbon present in bio-oil. This Laboratory Analytical Procedure (LAP) quantifies different carbon functional groups in whole bio-oil samples. This information can be used for comparisons between different pyrolysis experimental conditions or different upgrading processes and catalysts, and also allow for comparisons between bio-oils produced at different facilities.
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Emerging Modification Technologies of Lignin-based Activated Carbon toward Advanced Applications
Lignin-based activated carbon (LAC) is a promising high-quality functional material due to high surface area, abundant porous structure, and various functional groups. Modification is the most important step to functionalize LAC by altering its porous and chemical properties. Here, this Review summarizes the state-of-the-art modification technologies of LAC toward advanced applications. Promising modification approaches are reviewed to display their effects on the preparation of LAC. The multiscale changes in the porosity and the surface chemistry of LAC are fully discussed. Advanced applications are then introduced to show the potential of LAC for supercapacitor electrode, catalyst support, hydrogen storage, and carbon dioxide capture. Finally, the mechanistic structure-function relationships of LAC are elaborated. These results highlight that modification technologies play a special role in altering the properties and defining the functionalities of LAC, which could be a promising porous carbon material toward industrial applications.
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A data-driven comparison of commercially available testing methods for algae characterization
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Life-Cycle Assessment of Biochemicals with Clear Near-Term Market Potential
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Microbial Pathways for Cost-Effective Low-Carbon Renewable Indigoidine
Indigoidine is a bioadvantaged platform molecule with diverse applications, including use as a textile dye, biotransistor, biosolar cell, biosensor, and food coloring. There are multiple microbial hosts and carbon sources that can be used and optimized for its production, yet there is limited guidance for which options have the greatest commercial potential. Here, we consider five different host microbes and combine genome-scale metabolic models with techno-economic and lifecycle assessment models. Pseudomonas putida currently outperforms synthetic indigo production and other indigoidine-producing hosts, using glucose, xylose, and lignin-derived aromatics to produce indigoidine at a minimum selling price of $2.9/kg and a greenhouse gas (GHG) footprint of 3.5 kgCO 2e /kg. Optimizing pathways-achieving 90% of the theoretical indigoidine yield from sugars and aromatics-can reduce costs 6-7-fold and GHG emissions 3-10-fold. From a cost perspective, microbes that co-utilize aromatics are advantageous, while selecting hosts that coproduce other value-added molecules can reduce GHG emissions. System-wide improvements and the use of a low-cost, low-carbon nitrogen source are crucial for commercial viability in all cases.
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Paired electrocatalysis in 5-hydroxymethylfurfural valorization
5-Hydroxymethylfurfural (HMF) has aroused considerable interest over the past years as an important biomass-derived platform molecule, yielding various value-added products. The conventional HMF conversion requires noble metal catalysts and harsh operating conditions. On the other hand, the electrocatalytic conversion of HMF has been considered as an environmentally benign alternative. However, its practical application is limited by low overall energy efficiency and incomplete conversion. Paired electrolysis and highly efficient electrocatalysts are two viable strategies to address these limitations. Herein, an overview of coupled electrocatalytic HMF hydrogenation or hydrogen evolution reaction (HER) with HMF oxidation as well as the associated electrocatalysts are reviewed and discussed. In this mini-review, a brief introduction of electrocatalytic HMF upgrading is given, followed by the recent advances and challenges of paired electrolysis with an emphasis on the integration HMF electrohydrogenation with HMF electrooxidation. Finally, a perspective for a future sustainable biomass upgrading community based on electrocatalysis is proposed.
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