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At least 955 records · Page 53

Microstructure Scale Lithium-Ion Battery Modeling: Part III. When and Where Lithium Plating Occurs and its Correlation with the Electrode Microstructure

Li-ion battery performance and degradation are closely related to the cell’s underlying electrode microstructure. Electrode microstructures are typically characterized with volume-averaged properties that neglect the impact of local heterogeneities. However, local heterogeneities create hot spots that can trigger degradation onset. Herein, a microstructure scale electrochemical model is used to investigate the impact of microstructure heterogeneity on lithium plating. The model predicts lithium plating is not uniform, even when considering a relatively small portion of the electrode (a cross-sectional area of 154×144 µm 2 ), preferring to plate on larger particles as compared to smaller particles. While local heterogeneities control where plating occurs, the model predicts that volume-averaged properties control when plating occurs. Additionally, the model predicts that the active material specific surface area has a linear relationship with the plating onset. However, the linear relationship between increased active material surface area and delayed plating response appears to be sensitive to the microstructure feature used to increase the active interface area. Here, a comparative case-study is explored where the specific surface area is increased by either reducing the active material particle diameter, adding open-porosity cracks, or increasing the active material surface roughness. The model predicts that increasing the specific surface area by reducing the active material particle diameter is the most effective strategy for delaying lithium plating. At 6C, reducing particle size is shown to be 3 and 20 times more effective than, respectively, adding open-porosity cracks and increasing surface roughness. A dual-layer electrode architecture combining gradations both for average properties and uniformities is eventually proposed to improve homogeneous material utilization and reduce degradation at high charge rates.

25 ENERGY STORAGE↗

Mathematical Modeling of Hydroxide-Exchange-Membrane Water Electrolyzer

Water electrolyzers can transform intermittent renewable energy like solar energy and wind energy into the chemical energy of hydrogen with zero greenhouse-gas emissions. The hydroxide-exchange membrane electrolyzer (HEME) combines the capability to produce pressurized hydrogen with the advantage of being able to use low or non-platinum group metal (PGM) electrocatalysts in the alkaline environment.1 Hydroxide salts, for example, KOH, are added to the HEME water feed on both anode and cathode to improve its performance. However, the specific mechanism of performance improvement still needs to be further understood. In addition, at high current densities, bubble evolution can result in mass-transport limitations, a less well studied phenomena. Mathematical modeling is ideal to explore these issues as it is cost and time efficient and can deconvolute the physics, processes, and observed phenomena and study the applied-voltage breakdown. In this work, we extend our previously developed 1D two-phase continuum model2 to study the varies processes in the HEME and provide insights on performance optimizations. First, the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) kinetics at different hydroxide concentrations have been studied by rotating disk electrodes (RDE) and implemented in the model. Then, the model is calibrated and validated against experimental HEME polarization curves for different KOH concentrations as a liquid electrolyte. The model clearly shows a performance increase with increasing KOH concentrations, which is consistent with the experimental results. The reduced ohmic resistance and increased electrochemical active surface area (ECSA) are the two main reasons for performance increase. The large amount of hydroxide in the liquid electrolyte not only helps to distribute the reactant hydroxide throughout the catalyst layer (CL), which reduces ohmic loss, but also enables reaction at the interface between the liquid electrolyte and electrocatalyst, which increases the ECSA. Applied-voltage breakdown demonstrates that the electrolyzer performance is dominated by anode kinetics and ohmic loss. A comparison with the DI water feed shows a more uniform current distribution in the anode CL when KOH is added, which indicates a higher utilization of the CL. Second, we present modeling on the effects of bubble coverage. As gas evolves, part of the ECSA is minimized due to bubble coverage. To account for this effect, an empirical relationship between the fractional bubble coverage and the current density is implemented in the model.3 The model shows this bubble coverage effect is more pronounced at large current densities with DI water feed. Acknowledgements This work was funded under the HydroGEN Consortium by the Energy Efficiency and Renewable Energy, Hydrogen and Fuel Cell Technologies Office, of the U. S. Department of Energy under contract number DE-AC02-05CH11231. References R. Abbasi, B. P. Setzler, S. Lin, J. Wang, Y. Zhao, H. Xu, B. Pivovar, B. Tian, X. Chen, G. Wu and Y. Yan, 31, 1805876 (2019). L. N. Stanislaw, M. R. Gerhardt and A. Z. Weber, ECS Transactions, 92, 767 (2019). H. Vogt and R. J. Balzer, Electrochimica Acta, 50, 2073 (2005).

Liu, Jiangjin↗

Inl Open Ondemand Applications

Open OnDemand is a software tool that is used to access HPC resources. It provides a framework for organizations to create apps and other additional functionality that may be useful to the organization. This code expands upon the pre-existing INL applications, including the NEAMS Workbench application, MOOSE Herd applications, and others. These changes significantly expand upon the functionality originally provided. Due to the extensive functionality that we added, these changes would not be added to the original application but would function as a standalone application that other organizations would be able to utilize on their own systems.

Biggs, BrandonS.↗

AutoDiffSVDCompression [SWR-25-162]

This software contains the code and results for the paper Reducing Memory Usage of Reverse Mode AD by Compression. In particular, the code includes implementation of the necessary structures and functions for using the Singular Value Decomposition (SVD) to compress forward pass values needed for reverse mode AD as well as the necessary numerical solvers for Burgers’ Equation and numerical solution of a control problem. In addition to the code, the repository also contains the scripts, results, and logs used in the aforementioned publication. This repository is meant to enable the reproducibility of the results in the publication.

Maack, Jonathan [National Renewable Energy Laborat↗

Inl Open Ondemand Dashboard Applications

Open OnDemand is a software tool that is used to access HPC resources. It provides a framework for organizations to create apps and other additional functionality that may be useful to the organization. This code creates new INL applications. These changes significantly expand upon the functionality originally provided. Due to the extensive functionality that we added, these changes would not be added to the original application but would function as additional applications that other organizations would be able to utilize on their own systems.

Biggs, Brandon [Idaho National Laboratory (INL), I↗

Energy Exascale Earth System Model v2.0

First release of version 2 of the Energy Exascale Earth System Model. The atmosphere component remains EAM. Major changes since version 1 include: all column-physics parameterizations are computed on a separate grid that has approximately half the number of points of the dynamics grid, a new nonhydrostatic dynamical core (running in hydrostatic mode) with semi-Lagrangian tracer transport, CLUBB updated from v1 to v2, a new convective trigger (dCAPE/ULL) based on the dynamic Convective Available Potential Energy (CAPE) (dCAPE) and the Unrestricted Launch Level (ULL) concepts is used in ZM. minimum cloud droplet number changed, gravity wave drag energy conservation fixed and new tunings used, dust emission size distribution changed to emit more coarse dust particles The land component is still ELM. Major changes since version 1 include: using SNICAR-AD for radiation in snow to match the sea-ice model and fixing bugs in snow compaction and water state calculation. The ocean component remains MPAS-ocean. Major change since version 1 include: Redi isopycnal mixing has been updated, tested, and tuned in combination with the Gent-McWilliams parameterization, a sign error was fixed in the 3rd-order flux routines, the mesh used in low-resolution coupled cases was modified and the time steps adjusted, new regionally refined meshes were created, one focused on North America and another on the Southern Ocean, including ice shelf cavities. The sea-ice component remains MPAS-seaice. Major changes since version 1 include: A new heat- and freshwater-conserving coupling of frazil ice, turning off of SSH filtering, addition of SNICAR-AD and snow grain aging. The land-ice component remains MPAS-Albany-landIce (MALI) and is a static ice sheet. There is more out-of-the-box support for cryosphere configurations including the new regionally refined configuration around Antarctica with ice shelf cavities. The river model is MOSART. The half-degree river mesh was redone so it no longer treats Black and Caspian seas as ocean. The coupler remains cpl7/MCT. Major changes since version 1 include handling of ice shelf melt fluxes (heat / freshwater exchange with the ocean), and data icebergs. All components allow regional refinement of their meshes and two separate example of refinement, one in and around North America and one around Antarctica and the Southern Ocean, are provided.

E3SM Project, DOE↗

The CORDEX-CORE EXP-I Initiative: Description and Highlight Results from the Initial Analysis

Here we describe the first effort within the Coordinated Regional Climate Downscaling Experiment–Coordinated Output for Regional Evaluation, or CORDEX-CORE EXP-I. It consists of a set of twenty-first-century projections with two regional climate models (RCMs) downscaling three global climate model (GCM) simulations from the CMIP5 program, for two greenhouse gas concentration pathways (RCP8.5 and RCP2.6), over nine CORDEX domains at ~25-km grid spacing. Illustrative examples from the initial analysis of this ensemble are presented, covering a wide range of topics, such as added value of RCM nesting, extreme indices, tropical and extratropical storms, monsoons, ENSO, severe storm environments, emergence of change signals, and energy production. They show that the CORDEX-CORE EXP-I ensemble can provide downscaled information of unprecedented comprehensiveness to increase understanding of processes relevant for regional climate change and impacts, and to assess the added value of RCMs. The CORDEX-CORE EXP-I dataset, which will be incrementally augmented with new simulations, is intended to be a public resource available to the scientific and end-user communities for application to process studies, impacts on different socioeconomic sectors, and climate service activities. The future of the CORDEX-CORE initiative is also discussed.

54 ENVIRONMENTAL SCIENCES↗

Climate Impacts of Convective Cloud Microphysics in NCAR CAM5

Here we improved the treatments of convective cloud microphysics in the NCAR Community Atmosphere Model version 5.3 (CAM5.3) by 1) implementing new terminal velocity parameterizations for convective ice and snow particles, 2) adding graupel microphysics, 3) considering convective snow detrainment, and 4) enhancing rain initiation and generation rate in warm clouds. Furthermore, we evaluated the impacts of improved microphysics on simulated global climate, focusing on simulated cloud radiative forcing, graupel microphysics, convective cloud ice amount, and tropical precipitation. Compared to CAM5.3 with the default convective microphysics, the too-strong cloud shortwave radiative forcing due primarily to excessive convective cloud liquid is largely alleviated over the tropics and midlatitudes after rain initiation and generation rate is enhanced, in better agreement with the CERES-EBAF estimates. Geographic distributions of graupel occurrence are reasonably simulated over continents; whereas the graupel occurrence remains highly uncertain over the oceanic storm-track regions. When evaluated against the CloudSat–CALIPSO estimates, the overestimation of convective ice mass is alleviated with the improved convective ice microphysics, among which adding graupel microphysics and the accompanying increase in hydrometeor fall speed play the most important role. The probability distribution function (PDF) of rainfall intensity is sensitive to warm rain processes in convective clouds, and enhancement in warm rain production shifts the PDF toward heavier precipitation, which agrees better with the TRMM observations. Common biases of overestimating the light rain frequency and underestimating the heavy rain frequency in GCMs are mitigated.

54 ENVIRONMENTAL SCIENCES↗

Impact of Tropical Cyclone Wind Forcing on the Global Climate in a Fully Coupled Climate Model

Tropical cyclones (TCs) alter upper-ocean temperature and influence ocean heat content via enhanced turbulent mixing. A better understanding of the role of TCs within the climate system requires a fully coupled modeling framework, where TC-induced ocean responses feed back to the atmosphere and subsequently to the climate mean state and variability. Here, we investigate the impacts of TC wind forcing on the global ocean and the associated feedbacks within the climate system using the fully coupled Community Earth System Model version 1.3 (CESM1.3). Using the low-resolution version of CESM1.3 (1° atmosphere and ocean grid spacing) with no intrinsic TCs, we conduct a suite of sensitivity experiments by inserting TC winds extracted from a high-resolution (0.25° atmosphere grid spacing) TC-permitting simulation into the low-resolution model. Results from the low-resolution TC experiment are compared to a low-resolution control simulation to diagnose TCs’ impact. We found that the added TC winds can increase ocean heat content by affecting ocean vertical mixing, air–sea enthalpy fluxes, and cloud amount. Here, the added TCs can influence mean SST, precipitation, ocean subsurface temperature, and ocean mixed layer depth. We found a strengthening of the wind-driven subtropical cells and a weakening of the Atlantic meridional overturning circulation due to the changes of surface buoyancy fluxes. TCs in the model cause anomalous equatorward ocean heat convergence in the deep tropics and an increase of poleward ocean heat transport out of the subtropics. Our modeling results provide new insights into the multiscale interactions between TCs and the coupled climate system.

54 ENVIRONMENTAL SCIENCES↗

Non-target RNA depletion strategy to improve sensitivity of next-generation sequencing for the detection of RNA viruses in poultry

PCR-based assays have become the benchmark for detecting pathogens of poultry and other livestock; however, these techniques are limited in their ability to detect multiple infecting agents, provide limited genetic information on the pathogen, and, for RNA viruses, must be reviewed frequently to assure high sensitivity and specificity. In contrast, untargeted, high-throughput sequencing can rapidly detect all infecting agents in a sample while providing genomic sequence information to allow more in-depth characterization of viruses. Although next-generation sequencing (NGS) offers many advantages, one of its primary limitations is low sensitivity to pathogens given the abundance of host and other non-target sequences in sequencing libraries. We explored methods for improving the sensitivity of NGS to detect respiratory and enteric viruses in poultry from RNA extracts of swab samples. We employed commercial and custom-designed negative enrichment strategies to selectively deplete the most abundant rRNA reads from the host and non-target bacteria; host RNA was diminished from up to 40% of total reads to as low as 3%, and the total number of reads assigned to abundant bacterial classes were reduced greatly. Our treatment resulted in up to a 700-fold increase in the number of viral reads, detection of a greater number of viral agents, and higher average genome coverage for pathogens. Depletion assays added only 2 h to the NGS library preparation workflow. Custom depletion probe design offered significant cost savings (US$7–12 per sample) compared to commercial kits (US$30–50 per sample).

Parris, D. Joshua↗

Exploring the potential benefits of high-efficiency dual-fuel combustion on a heavy-duty multi-cylinder engine for SuperTruck I

In support of the Daimler SuperTruck I team’s 55% brake thermal efficiency (BTE) pathway goal, researchers at Oak Ridge National Laboratory performed an experimental investigation of the potential efficiency and emissions benefits of dual-fuel advanced combustion approaches on a modified heavy-duty 15-L Detroit™ DD15 engine. For this work, a natural gas port fuel injection system with an independent injection control for each cylinder was added to the DD15 engine. For the dual-fuel strategies investigated, 65%–90% of the total fuel energy was supplied through the added port fuel injection natural gas (NG) fueling system. The remaining fuel energy was supplied by one or more direct injections of diesel fuel using the production high pressure diesel fueling system. The production DD15 air handling system and combustion geometry were unmodified for this study. Efficiency and emissions with dual-fuel strategies including both low temperature combustion (LTC) and non-LTC approaches such as dual fuel direct-injection were investigated along with control authority over combustion phasing. Parametric studies of dual-fuel NG/diesel advanced combustion were conducted in order to experimentally investigate the potential of high-efficiency, dual-fuel combustion strategies to improve BTE in a multi-cylinder engine, understand the potential reductions in engine-out emissions, and characterize the range of combustion phasing controllability. Characterization of mode transitions from mixing-controlled diesel pilot ignition to kinetically controlled ignition is presented. Key findings from this study included a reproducible demonstration of BTE approaching 48% at up to a 13-bar brake mean effective pressure with significant reductions in engine-out NOx and soot emissions. Additional results from investigating load transients in dual-fuel mode and initial characterization of particle size distribution during dual-fuel operation are presented.

33 ADVANCED PROPULSION SYSTEMS↗

Mapping the combustion modes of a dual-fuel compression ignition engine

Compression-ignition (CI) engines can produce higher thermal efficiency (TE) and thus lower carbon dioxide (CO 2 ) emissions than spark-ignition (SI) engines. Unfortunately, the overall fuel economy of CI engine vehicles is limited by their emissions of nitrogen oxides (NO x ) and soot, which must be mitigated with costly, resource- and energy-intensive aftertreatment. NO x and soot could also be mitigated by adding premixed gasoline to complement the conventional, non-premixed direct injection (DI) of diesel fuel in CI engines. Several such “dual-fuel” combustion modes have been introduced in recent years, but these modes are usually studied individually at discrete conditions. This paper introduces a mapping system for dual-fuel CI modes that links together several previously studied modes across a continuous two-dimensional diagram. This system includes the conventional diesel combustion (CDC) and conventional dual-fuel (CDF) modes; the well-explored advanced combustion modes of HCCI, RCCI, PCCI, and PPCI; and a previously discovered but relatively unexplored combustion mode that is herein titled “Piston-split Dual-Fuel Combustion” or PDFC. Tests show that dual-fuel CI engines can simultaneously increase TE and lower NO x and/or soot emissions at high loads through the use of Partial HCCI (PHCCI). At low loads, PHCCI is not possible, but either PDFC or RCCI can be used to further improve NO x and/or soot emissions, albeit at slightly lower TE. These results lead to a “partial dual-fuel” multi-mode strategy of PHCCI at high loads and CDC at low loads, linked together by PDFC. Drive cycle simulations show that this strategy, when tuned to balance NO x and soot reductions, can reduce engine-out CO 2 emissions by about 1% while reducing NO x and soot by about 20% each with respect to CDC. This increases emissions of unburnt hydrocarbons (UHC), still in a treatable range (2.0 g/kWh) but five times as high as CDC, requiring changes in aftertreatment strategy.

Engineering↗

Deep active learning for classifying cancer pathology reports

Abstract Background Automated text classification has many important applications in the clinical setting; however, obtaining labelled data for training machine learning and deep learning models is often difficult and expensive. Active learning techniques may mitigate this challenge by reducing the amount of labelled data required to effectively train a model. In this study, we analyze the effectiveness of 11 active learning algorithms on classifying subsite and histology from cancer pathology reports using a Convolutional Neural Network as the text classification model. Results We compare the performance of each active learning strategy using two differently sized datasets and two different classification tasks. Our results show that on all tasks and dataset sizes, all active learning strategies except diversity-sampling strategies outperformed random sampling, i.e., no active learning. On our large dataset (15K initial labelled samples, adding 15K additional labelled samples each iteration of active learning), there was no clear winner between the different active learning strategies. On our small dataset (1K initial labelled samples, adding 1K additional labelled samples each iteration of active learning), marginal and ratio uncertainty sampling performed better than all other active learning techniques. We found that compared to random sampling, active learning strongly helps performance on rare classes by focusing on underrepresented classes. Conclusions Active learning can save annotation cost by helping human annotators efficiently and intelligently select which samples to label. Our results show that a dataset constructed using effective active learning techniques requires less than half the amount of labelled data to achieve the same performance as a dataset constructed using random sampling.

59 BASIC BIOLOGICAL SCIENCES↗

Overestimated prediction using polygenic prediction derived from summary statistics

When polygenic risk score (PRS) is derived from summary statistics, independence between discovery and test sets cannot be monitored. We compared two types of PRS studies derived from raw genetic data (denoted as rPRS) and the summary statistics for IGAP (sPRS). Two variables with the high heritability in UK Biobank, hypertension, and height, are used to derive an exemplary scale effect of PRS. sPRS without APOE is derived from International Genomics of Alzheimer’s Project (IGAP), which records ΔAUC and ΔR 2 of 0.051 ± 0.013 and 0.063 ± 0.015 for Alzheimer’s Disease Sequencing Project (ADSP) and 0.060 and 0.086 for Accelerating Medicine Partnership - Alzheimer’s Disease (AMP-AD). On UK Biobank, rPRS performances for hypertension assuming a similar size of discovery and test sets are 0.0036 ± 0.0027 (ΔAUC) and 0.0032 ± 0.0028 (ΔR 2 ). For height, ΔR 2 is 0.029 ± 0.0037. Considering the high heritability of hypertension and height of UK Biobank and sample size of UK Biobank, sPRS results from AD databases are inflated. Independence between discovery and test sets is a well-known basic requirement for PRS studies. However, a lot of PRS studies cannot follow such requirements because of impossible direct comparisons when using summary statistics. Thus, for sPRS, potential duplications should be carefully considered within the same ethnic group.

97 MATHEMATICS AND COMPUTING↗

Two-step conversion of polyethylene into recombinant proteins using a microbial platform

Background: The increasing prevalence of plastic waste combined with the inefficiencies of mechanical recycling has inspired interest in processes that can convert these waste streams into value-added biomaterials. To date, the microbial conversion of plastic substrates into biomaterials has been predominantly limited to polyhydroxyalkanoates production. Expanding the capabilities of these microbial conversion platforms to include a greater diversity of products generated from plastic waste streams can serve to promote the adoption of these technologies at a larger scale and encourage a more sustainable materials economy. Results: Herein, we report the development of a new strain of Pseudomonas bacteria capable of converting depolymerized polyethylene into high value bespoke recombinant protein products. Using hexadecane, a proxy for depolymerized polyethylene, as a sole carbon nutrient source, we optimized media compositions that facilitate robust biomass growth above 1 × 10 9 cfu/ml, with results suggesting the benefits of lower hydrocarbon concentrations and the use of NH 4 Cl as a nitrogen source. We genomically integrated recombinant genes for green fluorescent protein and spider dragline-inspired silk protein, and we showed their expression in Pseudomonas aeruginosa, reaching titers of approximately 10 mg/L when hexadecane was used as the sole carbon source. Lastly, we demonstrated that chemically depolymerized polyethylene, comprised of a mixture of branched and unbranched alkanes, could be converted into silk protein by Pseudomonas aeruginosa at titers of 11.3 ± 1.1 mg/L. Conclusion: This work demonstrates a microbial platform for the conversion of a both alkanes and plastic-derived substrates to recombinant, protein-based materials. The findings in this work can serve as a basis for future endeavors seeking to upcycle recalcitrant plastic wastes into value-added recombinant proteins.

59 BASIC BIOLOGICAL SCIENCES↗

Chelator-mediated Fenton post-treatment enhances methane yield from lignocellulosic residues via microbial community modulation

Advancing biomethane production from anaerobic digestion (AD) is essential for building a more reliable and resilient bioenergy system. However, incomplete conversion of lignocellulose-rich agricultural waste remains a key limitation, often leaving energy-dense residues in the digestate by-product. In this study, we introduce a novel application of chelator-mediated Fenton (CMF) post-treatment to recover untapped biomethane potential from these recalcitrant residues, representing a significant departure from conventional pre-treatment strategies. By systematically varying pH, iron-chelator concentration, and hydrogen peroxide dosage, we identified reaction conditions (pH 6–8, 5 mM Fe 2+ -dihydroxybenzene, 3–4 wt.% H 2 O 2 ) that enhanced lignocellulose deconstruction and increased dissolved organic carbon (DOC) availability for methanogenesis. CMF post-treatment led to up to a tenfold increase in biomethane potential compared to untreated controls. Microbial community analysis revealed enrichment of cellulolytic species, suggesting enhanced hydrolytic activity as a driver of improved conversion. Application of the CMF post-treatment method to isolated poplar lignin further demonstrated its versatility for diverse lignocellulosic substrates. These findings position CMF post-treatment as a promising strategy to enhance AD efficiency and valorize digestate.

Martinez, Daniella Victoria [Sandia National Labor↗

Normalization of CSF pTau measurement by Aβ 40 improves its performance as a biomarker of Alzheimer’s disease

Alzheimer’s disease (AD)-related tauopathy can be measured with CSF phosphorylated tau (pTau) and tau PET. We aim to investigate the associations between these measurements and their relative ability to predict subsequent disease progression. In 219 cognitively unimpaired and 122 impaired Alzheimer’s Disease Neuroimaging Initiative participants with concurrent amyloid-β (Aβ) PET ( 18 F-florbetapir or 18 F-florbetaben), 18 F-flortaucipir (FTP) PET, CSF measurements, structural MRI, and cognition, we examined inter-relationships between these biomarkers and their predictions of subsequent FTP and cognition changes. The use of a CSF pTau/Aβ 40 ratio eliminated positive associations we observed between CSF pTau alone and CSF Aβ 42 in the normal Aβ range likely reflecting individual differences in CSF production rather than pathology. Use of the CSF pTau/Aβ 40 ratio also increased expected associations with Aβ PET, FTP PET, hippocampal volume, and cognitive decline compared to pTau alone. In Aβ+ individuals, abnormal CSF pTau/Aβ 40 only individuals (26.7%) were 4 times more prevalent (p < 0.001) than abnormal FTP only individuals (6.8%). Furthermore, among individuals on the AD pathway, CSF pTau/Aβ 40 mediates the association between Aβ PET and FTP PET accumulation, but FTP PET is more closely linked to subsequent cognitive decline than CSF pTau/Aβ 40 . Together, these findings suggest that CSF pTau/Aβ 40 may be a superior measure of tauopathy compared to CSF pTau alone, and CSF pTau/Aβ 40 enables detection of tau accumulation at an earlier stage than FTP among Aβ+ individuals.

60 APPLIED LIFE SCIENCES↗

Utilization of microalgae for agricultural runoff remediation and sustainable biofuel production through an integrated biorefinery approach

Generally wastewater such agricultural runoff is considered a nuisance; however, it could be harnessed as a potential source of nutrients like nitrates and phosphates in integrated biorefinery context. In the current study, microalgae Chlorella sp. S5 was used for bioremediation of agricultural runoff and the leftover algal biomass was used as a potential source for production of biofuels in an integrated biorefinery context. The microalgae Chlorella sp. S5 was cultivated on Blue Green (BG 11) medium and a comprehensive optimization of different parameters including phosphates, nitrates, and pH was carried out to acquire maximum algal biomass enriched with high lipids content. Dry biomass was quantified using the solvent extraction technique, while the identification of nitrates and phosphates in agricultural runoff was carried out using commercial kits. The algal extracted lipids (oils) were employed in enzymatic trans-esterification for biodiesel production using whole-cell biomass of Bacillus subtilis Q4 MZ841642. The resultant fatty acid methyl esters (FAMEs) were analyzed using Fourier transform infrared (FTIR) spectroscopy and gas chromatography coupled with mass spectrometry (GC–MS). Subsequently, both the intact algal biomass and its lipid-depleted algal biomass were used for biogas production within a batch anaerobic digestion setup. Interestingly, Chlorella sp. S5 demonstrated a substantial reduction of 95% in nitrate and 91% in phosphate from agricultural runoff. The biodiesel derived from algal biomass exhibited a noteworthy total FAME content of 98.2%, meeting the quality standards set by American Society for Testing and Materials (ASTM) and European union (EU) standards. Furthermore, the biomethane yields obtained from whole biomass and lipid-depleted biomass were 330.34 NmL/g VS added and 364.34 NmL/g VS added , respectively. In conclusion, the findings underscore the potent utility of Chlorella sp. S5 as a multi-faceted resource, proficiently employed in a sequential cascade for treating agricultural runoff, producing biodiesel, and generating biogas within the integrated biorefinery concept.

09 BIOMASS FUELS↗