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ACS Sustainable Chemistry & Engineering Virtual Special Issue on Recent Advances in Biomass Characterization and Modeling

Recognizing the importance of biomass characterization and modeling, a virtual special issue (VSI) entitled Recent Advances in Biomass Characterization and Modeling was organized to showcase the recent contributions to this emerging field. This VSI features contributions from leading scientists in the biorefinery field, intending to provide the readers with the latest advances in analytical methodology and modeling to characterize biomass feedstocks and biomass-derived products. Further, the VSI contains perspectives and research articles. Advanced analytical methods that measure the mechanical, chemical, physical, biological, and other properties of biomass and biomass pyrolysis products are described along with their application’s limitations in two perspectives. Biomass is a multicomponent/multiscale, complex, nonconducting, and highly heterogeneous material; thus, it could be problematic for many characterization techniques. Traditional biomass analysis tools that are slow, laborious, and generally require harsh reagents have been replaced or supplemented by simpler and more rapid chromatographic and spectroscopic approaches such as GC-MS, HPLC, FTIR, Raman, and NMR spectroscopies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Precision Plant Biomass Characterization in Agriculture: Harnessing Machine Learning and Hyperspectral Imaging [Slides]

Efficient Biomass Separation Object detection of anatomical parts (Cob, Stalk, Husk) in IR images enables precise separation, improving preprocessing (e.g., drying, grinding) for biofuel production. Detailed Biomass Characterization with Hyperspectral Data Hyperspectral imaging captures spectral signatures of biomass, allowing for the identification of specific traits like moisture content, lignin levels, and nutrient composition, leading to optimized treatments for each biomass part. Enhanced Feedstock Quality By leveraging hyperspectral data, feedstock can be processed based on its chemical composition, improving conversion efficiency and biofuel yield. Automation for Large-Scale Operations Automated object detection and hyperspectral data analysis reduce manual labor, ensuring accurate sorting and faster processing, making large-scale biofuel production more efficient. Maximized Biomass Utilization Accurate identification of biomass properties minimizes waste and ensures that each part is processed according to its highest biofuel potential.

09 BIOMASS FUELS↗

Near-infrared spectroscopy as a green analytical tool for sustainable biomass characterization for biofuels and bioproducts: An overview

Biomass, a widely used renewable energy source, requires characterization to optimize biofuel and bioproduct processes, customize feedstocks, and ensure economic and environmental sustainability. Conventional wet-chemistry methods for biomass analysis are slow, expensive, and require significant reagents and skilled personnel. In contrast, near-infrared (NIR) spectroscopy, a faster, cost-effective, and reagent-free green technology, enables non-destructive biomass analysis with minimal sample preparation. This study provides an overview of the fundamentals of NIR spectroscopy and explores its recent applications for analyzing various biomass properties important to the biofuel and bioproduct industry. The study also critically evaluates the challenges and opportunities of using NIR spectroscopy for biomass analysis. This review aims to guide future research for rapid and high throughput characterization of biomass in the biomass industry, supporting the United Nations’ sustainable development goal (SDG) 7: producing affordable and sustainable energy.

Biofuels↗

Characterizing Biomass Feedstock Transport Properties Using State of the Art Imaging and Computational Techniques

The microstructure of lignocellulosic biomass determines heat and mass transfer during conversion processes. We present a novel method for characterizing the transport properties of biomass using advanced imaging and computational techniques. The microstructure of two woody feedstocks, red oak and Douglas fir, before and after pyrolysis, is revealed using X-ray computed tomography (XCT). Transport properties are calculated from the XCT images, and principal permeability tensors are calculated using an immersed boundary-based finite volume solver to model gas flow through the geometries. We observe that the permeabilities of native biomass are distinctly anisotropic, however, this anisotropy is greatly reduced after pyrolysis.

adaptive mesh refinement↗

Flow behavior characterization of biomass Feedstocks

With the advancement of renewable energy, the processing and handling of biomass feedstocks has drawn enormous research interest. The key to economically viable and operationally reliable biomass handling processes involves a complete understanding of the flow behavior of different feedstocks as functions of the inherent critical material properties environmental conditions, and critical processing parameters. This review introduces the basic principles and methods in bulk solids flow and highlights recent efforts to understand the flow behavior of biomass feedstocks. The effects of inherent properties, environmental parameters, and handling equipment on the flow behavior of biomass feedstocks are presented. Particle size, shape, moisture, consolidation stress, temperature, storage time at rest, chemical treatment, and the material and geometry of the handling equipment all substantially influence biomass flowability. The limitations of current studies and the potential methods to overcome them are presented. Finally, an outlook for future research effort is provided, with proposed opportunities for improving the characterization of biomass flow.

Bulk solids testing↗

Influence of particle size on NIR spectroscopic characterization of sorghum biomass for the biofuel industry

NIR spectroscopy is a rapid and accurate green technology for high-throughput biomass characterization, including sorghum (Sorghum bicolor), a promising energy crop for the biofuel industry. This study assessed the influence of particle size on NIR spectroscopic analysis (wavelength range: 867–2535 nm) of sorghum biomass composition. Grown under field conditions, a total of 113 types of genetically diverse sorghum accessions were dried, ground, and sieved (<250, 250–600, 600–850, and > 850 µm particle size) for developing partial least square regression (PLSR) prediction models for moisture, ash, extractive, glucan, xylan, acid-soluble lignin (ASL), acid-insoluble lignin (AIL), and total lignin (ASL + AIL). Overall, smaller particle sizes provided better model performance, while no single particle size provided the best performance for all the selected components. With only 9 selected bands and 4 latent variables (LVs), the best PLSR model was obtained for moisture with particle size of 600–850 µm with the square root of the coefficient of determination (R) of 0.85, the ratio of prediction to deviation (RPD) of 2.2, and the root mean square error (RMSE) of 0.46 % in external validation. Similar model performances were also obtained for ash, extractive, glucan, and xylan. This study showed that size reduction could effectively improve NIR spectroscopic analysis for lipid-producing sorghum biomass for the biofuel industry.

09 BIOMASS FUELS↗

Data for Influence of Particle Size on NIR Spectroscopic Characterization of Sorghum Biomass for the Biofuel Industry

NIR spectroscopy is a rapid and accurate green technology for high-throughput biomass characterization, including sorghum ( Sorghum bicolor ), a promising energy crop for the biofuel industry. This study assessed the influence of particle size on NIR spectroscopic analysis (wavelength range: 867–2535 nm) of sorghum biomass composition. Grown under field conditions, a total of 113 types of genetically diverse sorghum accessions were dried, ground, and sieved (<250, 250–600, 600–850, and > 850 µm particle size) for developing partial least square regression (PLSR) prediction models for moisture, ash, extractive, glucan, xylan, acid-soluble lignin (ASL), acid-insoluble lignin (AIL), and total lignin (ASL + AIL). Overall, smaller particle sizes provided better model performance, while no single particle size provided the best performance for all the selected components. With only 9 selected bands and 4 latent variables (LVs), the best PLSR model was obtained for moisture with particle size of 600–850 µm with the square root of the coefficient of determination (R) of 0.85, the ratio of prediction to deviation (RPD) of 2.2, and the root mean square error (RMSE) of 0.46 % in external validation. Similar model performances were also obtained for ash, extractive, glucan, and xylan. This study showed that size reduction could effectively improve NIR spectroscopic analysis for lipid-producing sorghum biomass for the biofuel industry.

Biomass Analytics↗

Satellite Contributions to the Quantitative Characterization of Biomass Burning for Climate Modeling

Characterization of biomass burning from space has been the subject of an extensive body of literature published over the last few decades. Given the importance of this topic, we review how satellite observations contribute toward improving the representation of biomass burning quantitatively in climate and air-quality modeling and assessment. Satellite observations related to biomass burning may be classified into five broad categories: (i) active fire location and energy release, (ii) burned areas and burn severity, (iii) smoke plume physical disposition, (iv) aerosol distribution and particle properties, and (v) trace gas concentrations. Each of these categories involves multiple parameters used in characterizing specific aspects of the biomass-burning phenomenon. Some of the parameters are merely qualitative, whereas others are quantitative, although all are essential for improving the scientific understanding of the overall distribution (both spatial and temporal) and impacts of biomass burning. Some of the qualitative satellite datasets, such as fire locations, aerosol index, and gas estimates have fairly long-term records. They date back as far as the 1970s, following the launches of the DMSP, Landsat, NOAA, and Nimbus series of earth observation satellites. Although there were additional satellite launches in the 1980s and 1990s, space-based retrieval of quantitative biomass burning data products began in earnest following the launch of Terra in December 1999. Starting in 2000, fire radiative power, aerosol optical thickness and particle properties over land, smoke plume injection height and profile, and essential trace gas concentrations at improved resolutions became available. The 2000s also saw a large list of other new satellite launches, including Aqua, Aura, Envisat, Parasol, and CALIPSO, carrying a host of sophisticated instruments providing high quality measurements of parameters related to biomass burning and other phenomena. These improved data products have enabled significant progress in the study of biomass burning from space. However, appreciable uncertainty remains in many of the measurements that still needs to be addressed. Nevertheless, climate and other atmospheric models are

Ichoku, Charles↗

Rheological Characterization of Biomass Feedstock for Alternative Energy Applications

With the increased necessity of alternative energy resources, bulk feedstock biomass materials were characterized with the purpose of replacing depleting energy supplies such as fossil fuels and other nonrenewable energy sources. Residual organic waste material (biomass) left over from agricultural processing and handling systems was recycled, and further investigated for renewable energy use. Understanding the scope of flowability for biomass material yielded more efficient, and economical crop harvesting, transporting, and storing method design for the agricultural industry. The effects of moisture on bulk solid flowability was investigated using a variety of parametric testing methods that measure basic flowability energy, and other properties such as compressibility and material resistance. In an industry where organic material is a wasteful byproduct, converting this biomass material into a new energy source and streamlining efficiently for innovative agricultural development supports a clean, renewable energy approach to everyday nonrenewable energy uses, such as oil, propane, and coal. As observed from the repeatable results from the investigated rheological material properties, biomass is an incredibly diverse material that requires modern engineering solutions to revolutionize biomass into a renewable energy source. Biomass will decarbonize petroleum (nonrenewable) derived fuels and chemicals, yielding recyclable carbon. This push to replace fossil fuels with recycled carbon is ideal because of the abundant, renewable, and otherwise agricultural waste of corn stover material. Decarburization, and reduction of C0 2 emissions reduces the effects of global warming.

09 BIOMASS FUELS↗

Advanced mass balance characterization and fractionation of algal biomass composition

Abstract Opportunities associated with biomass production and bioproduct isolation from algae-derived feedstocks are plentiful and promising; however, there are challenges associated with realizing these applications. One of the most important, and often overlooked, challenges is the lack of availability of a strong foundation of compositional analysis methods validated on microalgal biomass. Currently, compositional analysis in algae is dominated by the use of interference-prone methods, a lack of full mass balance accounting, and the use of top-down approaches that bin all unaccounted-for mass into a single category, such as carbohydrates. We present here an approach based on a bottom-up algal biomass characterization aimed at moving towards, and highlighting the importance of, full and accurate mass closure to achieve the maximum economic potential from a sustainable and renewable feedstock. Algal biomass representing three genera, Nannochloropsis , Scenedesmus , and Monoraphidium , was subjected to a cell rupture and fractionation process, followed by detailed characterization of each fraction to determine the partitioning of measured and unknown components. The goal of this work is to identify where the missing components partition, and develop a strategy to close the mass balance or identify the unknowns, while utilizing a rigorous characterization approach for characterizing algal biomass. Although only 75–80% of the biomass was accounted for, the fractionation approach utilized here provides key insight into possible chemical components for future investigations.

59 BASIC BIOLOGICAL SCIENCES↗

Composition-Preserving Extraction and Characterization of Biomass Extrinsic and Intrinsic Inorganic Compounds

The inorganic content of biomass impairs size reduction tool life and the conversion process. Conventional ash extraction relies on furnace combustion that inevitably alters the inorganic compounds due to oxidation and decomposition. This study developed composition-preserving methods for extracting and analyzing extrinsic and intrinsic inorganic compounds. Comprehensive characterization was carried out on selected biomass feedstocks, including corn stover, pine residue, and pine anatomical fractions, to reveal their inorganic species and morphology. The extrinsic inorganic compounds were found to be dominated by quartz, along with other minor minerals, such as albite, microcline, and gehlenite, and have particle sizes ranging from tens to hundreds of micrometers. Among the pine anatomical fractions, the needles contain the highest intrinsic silicon content while the bark trapped the most extrinsic minerals. By correlation of the total ash and extrinsic inorganic contents to the wear behavior, both the extrinsic and intrinsic inorganic compounds were concluded to have made significant contributions to the wear process. Finally, the results here validated a new approach to characterize inorganic compounds in biomass and provided fundamental insights for their potential impact on preprocessing tool wear.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Remote Characterization of Biomass Measurements: Case Study of Mangrove Forests

Accurately quantifying forest biomass is of crucial importance for climate change studies. By quantifying the amount of above and below ground biomass and consequently carbon stored in forest ecosystems, we are able to derive estimates of carbon sequestration, emission and storage and help close the carbon budget. Mangrove forests, in addition to providing habitat and nursery grounds for over 1300 animal species, are also an important sink of biomass. Although they only constitute about 3% of the total forested area globally, their carbon storage capacity -- in forested biomass and soil carbon -- is greater than that of tropical forests (Lucas et al, 2007). In addition, the amount of mangrove carbon -- in the form of litter and leaves exported into offshore areas is immense, resulting in over 10% of the ocean's dissolved organic carbon originating from mangroves (Dittmar et al, 2006) The measurement of forest above ground biomass is carried out on two major scales: on the plot scale, biomass can be measured using field measurements through allometric equation derivation and measurements of forest plots. On the larger scale, the field data are used to calibrate remotely sensed data to obtain stand-wide or even regional estimates of biomass. Currently, biomass can be calculated using average stand biomass values and optical data, such as aerial photography or satellite images (Landsat, Modis, Ikonos, SPOT, etc.). More recent studies have concentrated on deriving forest biomass values using radar (JERS, SIR-C, SRTM, Airsar) and/or lidar (ICEsat/GLAS, LVIS) active remote sensing to retrieve more accurate and detailed measurements of forest biomass. The implementation of a generation of new active sensors (UAVSar, DesdynI, Alos/Palsar, TerraX) has prompted the development of new tecm'liques of biomass estimation that use the combination of multiple sensors and datasets, to quantify past, current and future biomass stocks. Focusing on mangrove forest biomass estimation, this book chapter has 3 main objectives: a) To describe in detail the field methodologies used to derive accurate estimates of biomass in mangrove forests b) To explain how mangrove forest biomass can be measured using several remote sensing techniques and datasets c) To give a detailed explanation of the measurement challenges and errors that arise in each estimate of forest biomass

Fatoyinbo, Temilola E.↗

NREL's Capabilities in Analytical Sciences Supporting Research and Development (R&D)

NREL researchers perform biomass characterization in dedicated laboratories working with over $5 million in state-of-the-art analytical equipment. A dedicated team of highly skilled analytical chemists have over 100 cumulative years of experience in characterization. They have three specialized laboratories with dedicated sample processing and advanced analytical equipment. Core capabilities include biomass and biochemical characterization and quantification, publicly available laboratory analytical procedures (LAPs), and near-infrared rapid analysis.

analysis↗

Airborne Hyperspectral Imagery for the Detection of Agricultural Crop Stress

Multispectral digital imagery from aircraft or satellite is presently being used to derive basic assessments of crop health for growers and others involved in the agricultural industry. Research indicates that narrow band stress indices derived from hyperspectral imagery should have improved sensitivity to provide more specific information on the type and cause of crop stress, Under funding from the NASA Earth Observation Commercial Applications Program (EOCAP) we are identifying and evaluating scientific and commercial applications of hyperspectral imagery for the remote characterization of agricultural crop stress. During the summer of 1999 a field experiment was conducted with varying nitrogen treatments on a production corn-field in eastern Nebraska. The AVIRIS (Airborne Visible-Infrared Imaging Spectrometer) hyperspectral imager was flown at two critical dates during crop development, at two different altitudes, providing images with approximately 18m pixels and 3m pixels. Simultaneous supporting soil and crop characterization included spectral reflectance measurements above the canopy, biomass characterization, soil sampling, and aerial photography. In this paper we describe the experiment and results, and examine the following three issues relative to the utility of hyperspectral imagery for scientific study and commercial crop stress products: (1) Accuracy of reflectance derived stress indices relative to conventional measures of stress. We compare reflectance-derived indices (both field radiometer and AVIRIS) with applied nitrogen and with leaf level measurement of nitrogen availability and chlorophyll concentrations over the experimental plots (4 replications of 5 different nitrogen levels); (2) Ability of the hyperspectral sensors to detect sub-pixel areas under crop stress. We applied the stress indices to both the 3m and 18m AVIRIS imagery for the entire production corn field using several sub-pixel areas within the field to compare the relative sensitivity of each stress index; and (3) Comparative sensitivity of stress indices to realistic measurement uncertainties. We compare the stress indices calculated with several levels of spectral uncertainty (by shifting the wavelengths) and reflectance uncertainty (by systematically varying the reflectance retrieval code initialization).

Cassady, Philip E.↗

Interparticle Characterization of Mechanical Biomass Particle-Particle and Particle-Wall Interactions

The biomass materials industry faces significant challenges in managing material variability and its impact on storage and handling systems. Physical properties such as moisture content, particle size, and density fluctuate considerably, leading to operational issues like bridging and ratholing that disrupt material flow. These variations create a complex cascade effect throughout the process chain, affecting transportation, storage, and conversion processes. The economic consequences of this variability manifest in increased operational costs, maintenance requirements, and system downtime. Environmental factors further complicate the situation, as weather conditions and seasonal availability influence material properties and system performance. Engineers employ specialized equipment design, material characterization protocols, and pre-processing steps like size reduction and homogenization to address these challenges. A critical knowledge gap exists between continuous-level constitutive models and particle-scale behavior. This project developed a novel device to quantify interparticle mechanics between biomass particles, measuring friction and adhesion forces between particles and wall materials. The research focused on corn stover and southern pine forest residue, creating a comprehensive database of particle interactions. This breakthrough enables direct application in particle-based computational modeling, advancing the field's understanding of biomass handling characteristics and supporting the development of more reliable and efficient storage and handling systems. The project's outcomes contribute significantly to understanding biomass's mechanical and flow characteristics, particularly how variability at the particle level affects larger-scale handling operations. This knowledge is crucial for engineering feedstock supply systems that consistently meet quality and cost specifications for various conversion processes. The innovative experimental setup developed through this research represents a significant advancement in biomass characterization methodology. Providing precise measurements of particle-level interactions establishes a foundation for more accurate predictive modeling of bulk material behavior. This enhanced understanding of fundamental particle mechanics enables engineers to anticipate better and address handling challenges before they manifest in full-scale operations. This research opens new avenues for optimizing biomass handling systems through data-driven design approaches. The comprehensive database of particle interactions serves as a valuable resource for future research and development efforts, potentially leading to more efficient and cost-effective biomass processing solutions. This advancement in particle-level mechanics could revolutionize how biomass handling systems are designed and operated, contributing to more sustainable and reliable renewable energy production.

09 BIOMASS FUELS↗