Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “chemical specificity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Location generalizability of image-based air quality models

This paper is to be submitted at the IEEE/CVF Winter Conference on Applications of Computer Vision (WACV) Computer Vision for Earth Observation workshop. The full paper abstract is below: The ability to rapidly quantify atmospheric pollutants is important both for global emissions monitoring and for mitigating the adverse effects that follow a hazardous chemical release. In the aftermath of a chemical release, imagery is often the only available resource to assess local conditions. Recent work has demonstrated initial success in predicting particulate matter pollution from imagery; however, these results are tied to a specific site and do not generalize to new geographic locations. In this work, we seek to understand how easily deep learning models generalize to new locations in the context of image-based air quality assessments, targeting two distinct tasks: (1) broad measures of particulate matter pollution, and (2) the mass of a given chemical released in hazardous plumes. For the latter, we focus on sulfur dioxide, a toxic aerosol and a major component of particulate matter pollution caused by industrial fossil fuel consumption. To develop a model that operates in the widest possible range of environments, we test different training strategies, including the use of new geolocation foundation models. The best performing models achieve >80% accuracy when evaluating unseen imagery at previously seen sites, but we find significant drops in performance when evaluating imagery from unseen sites, at best 65%. Additionally, we present the public release of the National Parks Air Quality Index Dataset, a new medium-sized dataset that pairs imagery with sensor-based air quality measurements at 15 different national parks.

Byler, Eleanor B. [BATTELLE (PACIFIC NW LAB)]↗
DOE OSTI2021

Kinetic Measurements in Heterogeneous Catalysis

This contribution is about the experimental determination of the rate of a heterogeneous catalytic reaction and the analysis of kinetic data. In this case, the reaction rate can be defined as the frequency at which the closed sequence of elementary steps transforming reactants into products is occurring. However, the rate of chemical reaction is not directly observed; rather, one records the rate of substance change. The rate of chemical reaction is calculated based on the rate of substance change and assumed stoichiometry of the reaction. In order to make this an intensive quantity (i.e., independent of the volume in which the reaction is performed, this frequency is divided by the latter or by a quantity proportional to the latter). As the focus of what follows is on heterogeneously catalyzed reactions this can be the catalyst mass, the catalyst surface area or the total number of active sites present in the reaction volume confined by the walls of a chemical reactor. For example, the rate may be reported as one of the following: Net rate of consumption/production of component i mol m-3 s-1 Net specific rate of consumption/production of component i mol kg-1 s-1 Rate of substance change (per unit volume of catalyst) mol m-3 s-1 Specific reaction rate (per unit mass of catalyst) mol kg-1 s-1 Net rate of consumption/production of component i mol m-2 s-1 The turnover frequency (TOF) is a characteristic originally introduced by Boudart [1] is expressed as TOF=R/G_tot , where R is the steady-state rate of reactant consumption or product generation and G_totis the total areal density of active sites [mol m-2]. The latter is typically taken from experimental chemisorption data obtained at low temperature. The advancement of a chemical reaction leads to changes in the amounts of reactants and products which, for a stoichiometric single reaction, are connected by the stoichiometric coefficients. In many cases, for the sake of simplicity, we will assume that the investigated reaction proceeds according to a single reaction pathway, so that the net production rate of a reaction component is directly proportional to the reaction rate and that the latter equals the net production rate of any of the involved components when divided by the appropriate stoichiometric coefficient. For complex stoichiometric reactions the net production rates of the involved components are linear combinations of the reaction rates. Different goals for kinetic measurements can be formulated: Catalyst testing, i.e., obtaining the kinetic dependences for the development and discrimination of efficient catalytic materials. Precise kinetic characterization of active materials via high-throughput screening is a part of such activity. Detailed kinetics, i.e., revealing the detailed mechanism of complex catalytic reaction via systematic kinetic studies, both steady-state and non-steady-state Industrial kinetics, i.e., obtaining data and relationships for describing and predicting the behaviour of catalytic reactors and processes at industrial scale Finally, mathematical modeling and analysis where kinetic measurements provide data for understanding complex kinetic phenomena, e.g., oscillations, non-linear self-organization, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Chemical and Radiological Compatibility Testing of 3D Printed Materials

To dramatically increase the adaptability, performance, and safety of processes in support of the Defense Waste Processing Facility (DWPF), Savannah River National Lab (SRNL) plans to perform chemical and radiological compatibility testing on a wide variety of 3D printed materials of interest. The 3D printing process provides numerous strategic operational benefits such as rapid prototyping of complex designs and geometry specific to the needs of the nuclear waste disposition process, as well as on-demand rapid prototyping and iteration with materials that aren’t as accessible through traditional manufacturing methods. Reaction chemistry in simulated waste batches can be matched closely to its radioactive counterpart, but glass reactor vessels have limitations. Vessel geometry can play a big factor in mixing transport limitations, process chemistry, and degradation reaction kinetics. In addition, additive manufacturing allows for much more detailed vessel design than traditional alternatives. Waste processing techniques in DWPF also encounter extreme chemical environments including high pH, strong acids, abrasive slurries, and significant irradiation. To meet these challenges, a matrix of various polymer, ceramic, and metal additive manufacturing materials have been exposed to a suite of chemical environments of interest as well as radioactive dose (such as gamma radiation from 60 Co) to properly test their durability under these conditions. Mass change has been monitored over a period of up to a week in these conditions, as well as added characterization for surface modification through Scanning Electron Microscopy/Electron Dispersive X-ray analysis (SEM/EDX). Further chemical characterization has been monitored through Fourier-Transform InfraRed Spectroscopy (FTIR), with planned investigation via thermal and tensile strength degradation. While the direct product of this research is identification of material(s) that can withstand specific hazardous environments encountered by the mercury water wash tank in DWPF process simulation experiments, the reference base of materials will be used for many other nuclear processes in the pursuit of rapidly developed, cost-efficient, and highly specific devices for environmental remediation and much more.

Wilson, Nathan W. [Savannah River National Laborat↗
DOE OSTI2025

UO2 microstructural evolutions induced by Ni, Mo, and W dopants for intentional forensics

The concept of tagging nuclear fuel with a chemical barcode to enable forensics analysis across the nuclear fuel cycle is an area of active investigation, particularly to ensure fabrication viability without disrupting current fuel performance. This study explored the feasibility of using Ni, Mo, and W isotopic double-spikes as dopants in UO2 fuel from the perspective of fuel fabrication. Doped UO2 pellets were produced using conventional fuel fabrication processes, including powder mixing, sieving, pressing, and sintering in a reductive atmosphere. Two composition levels, 100 and 1000 ppm, were evaluated for each dopant element with isotopic double-spike configurations. For the Ni system, additional dopant concentrations of 250 and 500 ppm were produced with nonperturbed isotopic ratios. The results demonstrated that successful incorporation of Ni, Mo, and W double-spikes into UO2 pellets occurred with minimal shift in final density or dopant loss during pellet fabrication. Isotopic analysis confirmed the presence of the double-spike signature even when diluted with natural isotopic material in ratio of 1:5 in the fabrication process. Microstructural examinations revealed different impacts on grain size compared with undoped UO2. This study showed that Ni incorporation up to ∼500 ppm promoted moderate grain growth, whereas the Mo and W systems caused grain size reduction at all concentrations. Changes in the UO2 lattice parameter as a function of composition were detected exclusively for Ni up to 500 ppm, indicating that the Ni solid solution was the main factor for the observed grain growth. Insoluble (Mo and W) or supersaturated (Ni > 500 ppm) conditions produced grain size reduction. The Ni-doped pellets in the solution range resulted in a final microstructure within fuel specifications, demonstrating its potential benefits of employing complex dopant systems for potential nuclear forensic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

A chemical-recovery-free ammonium sulfite-based alkali pretreatment of corn stover for low-cost sugar production via fertilizer use of waste liquor

The production of cellulosic sugars is a pivotal strategy for advancing biomass bioconversion. This study evaluated the pretreatment of corn stover using ammonium sulfite and potassium hydroxide to develop comprehensive data on sugar, lignin, chemicals, and overall mass recovery profiles in a batch reactor at 80 °C. The results indicated significant improvements in delignification, deacetylation, enzymatic digestibility, and overall sugar yield. Specifically, pretreating corn stover with a solution of 40 wt% potassium hydroxide and 15 wt% ammonium sulfite at 80 °C for 2 h achieved 78.9 % lignin removal and 82.1 % acetyl removal, resulting in a total sugar yield exceeding 87.5 % with an enzyme loading of 12.5 mg protein/g-glucan plus xylan. The pretreated spent liquor, containing ammonium, potassium, sulfur, biomass-derived organics, and inorganics, demonstrated substantial potential as a fertilizer. The techno-economic analysis projected a minimum sugar selling price of $0.285 per pound, supporting the ongoing development and implementation of chemical-recovery-free pretreatment technology.

09 BIOMASS FUELS↗
DOE OSTI2020

A robust clustering algorithm for analysis of composition-dependent organic aerosol thermal desorption measurements

Abstract. One of the challenges of understanding atmospheric organic aerosol (OA) particles stems from its complex composition. Mass spectrometry is commonly used to characterize the compositional variability of OA. Clustering of a mass spectral dataset helps identify components that exhibit similar behavior or have similar properties, facilitating understanding of sources and processes that govern compositional variability. Here, we developed an algorithm for clustering mass spectra, the noise-sorted scanning clustering (NSSC), appropriate for application to thermal desorption measurements of collected OA particles from the Filter Inlet for Gases and AEROsols coupled to a chemical ionization mass spectrometer (FIGAERO-CIMS). NSSC, which extends the common density-based special clustering of applications with noise (DBSCAN) algorithm, provides a robust, reproducible analysis of the FIGAERO temperature-dependent mass spectral data. The NSSC allows for the determination of thermal profiles for compositionally distinct clusters of mass spectra, increasing the accessibility and enhancing the interpretation of FIGAERO data. Applications of NSSC to several laboratory biogenic secondary organic aerosol (BSOA) systems demonstrate the ability of NSSC to distinguish different types of thermal behaviors for the components comprising the particles along with the relative mass contributions and chemical properties (e.g., average molecular formula) of each mass spectral cluster. For each of the systems examined, more than 80 % of the total mass is clustered into 9–13 mass spectral clusters. Comparison of the average thermograms of the mass spectral clusters between systems indicates some commonality in terms of the thermal properties of different BSOA, although with some system-specific behavior. Application of NSSC to sets of experiments in which one experimental parameter, such as the concentration of NO, is varied demonstrates the potential for mass spectral clustering to elucidate the chemical factors that drive changes in the thermal properties of OA particles. Further quantitative interpretation of the thermograms of the mass spectral clusters will allow for a more comprehensive understanding of the thermochemical properties of OA particles.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Electron–Ion Covariance Reveals Geometry-Resolved Inner-Shell Spectra in CS 2 Photodissociation

The chemical shifts of inner-shell atomic orbitals are highly sensitive to chemical bonding and molecular structure. In evolving systems, however, the spectra of distinct molecular species and geometries overlap, obscuring the underlying chemical dynamics. Here we demonstrate the use of electron–ion covariance analysis to combine the structural sensitivity of Coulomb explosion imaging with inner-shell spectroscopy, yielding geometry-specific spectra of transient and product species. We apply this approach to the excited state dynamics of CS 2 probed by ionization above the S 2p edge. Electron–ion covariance with time- and momentum-selected S + and S 2+ ions isolates distinct S 2p photoelectron spectra for ground-state CS 2 , bent photoexcited CS 2 , the CS photoproduct, and bare atomic sulfur ─ species whose spectra overlap strongly in the channel-averaged measurement. Clear chemical shifts are observed in the covariance photoelectron spectrum for each of these species, all of which are consistent with high-level calculations. Here, by extracting the atomic S contribution to the photoelectron spectrum in a finely time-resolved manner we can disentangle this contribution to the overall time-resolved photoelectron spectrum as the photodissociation proceeds. These results demonstrate the promise of electron–ion covariance as a general approach to geometry-resolved inner-shell spectroscopy, opening a route to tracking structural evolution through chemical shifts in complex photoexcited molecules.

Ionization↗
DOE OSTI2022

Chemistry, Structure, and Function of Lone Pairs in Extended Solids

The lone pair has been a known feature of the electronic structure of molecules for over 100 years. Beginning with the pioneering work of Lewis and others that was later developed into useful guidelines for predicting molecular structure, lone pairs and their steric consequences are now taught at the very earliest stages of a chemistry education. In the crystalline solid state, lone pairs have perhaps had a less visible yet equally consequential role, with a significant impact on a range of properties and functionalities. Important properties associated with s 2 electron-derived lone pairs include their role in creating conditions favorable for ion transport, in the formation and correlation of local dipoles and the resulting polar behavior leading to ferroics and multiferroics, in increasing the refractive index of glass, in reducing the thermal conductivity of thermoelectric materials, and in breaking local symmetry permitting second-harmonic light generation.. In recent years, the role of the lone pair in developing the electronic structure of some topological quantum materials has also been recognized. While structural distortions due to lone pairs have traditionally been characterized through their crystallography, recent advances in scattering and spectroscopy have revealed the presence of local lone pair-driven distortions that do not correlate over long length scales. The role of these crystallographically “hidden” lone pairs, their detection, and their impact on properties have become a growing body of work in the literature. Hidden lone pairs are an effective argument for considering a role for lone pairs that goes beyond their being objects that occupy space in the coordination polyhedra of cations. This Account introduces the chemistry of lone pairs in extended crystalline solids, including a discussion of when they are stereochemically active, how they manifest in the structure, and how their chemistry can be tuned by the chemical environment around them. Eventually, all of these factors work in unison to help develop and tune properties of interest. Certain specific examples of structure–property relationships in materials that are driven by lone pair behavior are described here, including the potential impact of lone pairs on the optical and electronic properties of hybrid halide perovskite compounds that are relevant to their photovoltaic applications. Here, we highlight the role of lone pairs in the dielectric behavior of geometrically frustrated pyrochlores, the temperature-dependent optoelectronic behavior of halide perovskites, the polar phase transitions in lead-free ferroelectric perovskites, and the compositional insulator-to-metal transition in ruthenium pyrochlores. The theme underpinning this Account is that the lone pair can be considered to be a powerful design element for a broad range of material function.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Aggregation Dynamics of Colloidal Particles in Tin Perovskite Crystalline Film Formation

We present an approach to understanding the crystallization of tin-based perovskite films for photovoltaic applications, starting from precursor suspensions processed via spin-coating. By integrating colloidal theory with the fluid dynamics of suspensions, this approach elucidates the influence of both chemical variables and process parameters on the crystallization pathways of perovskite suspensions and the resulting microstructural features of the solid films. Specifically, the incorporation of SnCl 2 as an additive was found to accelerate crystallization, whereas tBP induces a slowdown of the process leading, however, to a marked improvement in film uniformity and microstructural quality.

Crystallization↗
DOE OSTI2020

A grass-specific cellulose–xylan interaction dominates in sorghum secondary cell walls

Abstract Sorghum ( Sorghum bicolor L. Moench) is a promising source of lignocellulosic biomass for the production of renewable fuels and chemicals, as well as for forage. Understanding secondary cell wall architecture is key to understanding recalcitrance i.e. identifying features which prevent the efficient conversion of complex biomass to simple carbon units. Here, we use multi-dimensional magic angle spinning solid-state NMR to characterize the sorghum secondary cell wall. We show that xylan is mainly in a three-fold screw conformation due to dense arabinosyl substitutions, with close proximity to cellulose. We also show that sorghum secondary cell walls present a high ratio of amorphous to crystalline cellulose as compared to dicots. We propose a model of sorghum cell wall architecture which is dominated by interactions between three-fold screw xylan and amorphous cellulose. This work will aid the design of low-recalcitrance biomass crops, a requirement for a sustainable bioeconomy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Coupling of radiation and grain boundary corrosion in SiC

Abstract Radiation and corrosion can be coupled to each other in non-trivial ways and such coupling is of critical importance for the performance of materials in extreme environments. However, it has been rarely studied in ceramics and therefore it is not well understood to what extent these two phenomena are coupled and by what mechanisms. Here, we discover that radiation-induced chemical changes at grain boundaries of ceramics can have a significant (and positive) impact on the corrosion resistance of these materials. Specifically, we demonstrate using a combination of experimental and simulation studies that segregation of C to grain boundaries of silicon carbide leads to improved corrosion resistance. Our results imply that tunning of stoichiometry at grain boundaries either through the sample preparation process or via radiation-induced segregation can provide an effective method for suppressing surface corrosion.

Materials Science↗
DOE OSTI2021

Soil texture and environmental conditions influence the biogeochemical responses of soils to drought and flooding

Abstract Climate change is intensifying the global water cycle, with increased frequency of drought and flood. Water is an important driver of soil carbon dynamics, and it is crucial to understand how moisture disturbances will affect carbon availability and fluxes in soils. Here we investigate the role of water in substrate-microbe connectivity and soil carbon cycling under extreme moisture conditions. We collected soils from Alaska, Florida, and Washington USA, and incubated them under Drought and Flood conditions. Drought had a stronger effect on soil respiration, pore-water carbon, and microbial community composition than flooding. Soil response was not consistent across sites, and was influenced by site-level pedological and environmental factors. Soil texture and porosity can influence microbial access to substrates through the pore network, driving the chemical response. Further, the microbial communities are adapted to the historic stress conditions at their sites and therefore show site-specific responses to drought and flood.

58 GEOSCIENCES↗
DOE OSTI2021

Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory

Long considered a failure, second-order symmetry-adapted perturbation theory (SAPT) based on Kohn–Sham orbitals, or SAPT0(KS), can be resurrected for semiquantitative purposes using long-range corrected density functionals whose asymptotic behavior is adjusted separately for each monomer. Here, as in other contexts, correct asymptotic behavior can be enforced via “optimal tuning” based on the ionization energy theorem of density functional theory, but the tuning procedure is tedious, expensive for large systems, and comes with a troubling dependence on system size. Here, we show that essentially identical results are obtained using a fast, convenient, and automated tuning procedure based on the size of the exchange hole. In conjunction with “extended” (X)SAPT methods that improve the description of dispersion, this procedure achieves benchmark-quality interaction energies, along with the usual SAPT energy decomposition, without the hassle of system-specific tuning.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Disentangling the chemistry of Australian plant exudates from a unique historical collection

For thousands of years, the unique physicochemical properties of plant exudates have defined uses in material culture and practical applications. Native Australian plant exudates, including resins, kinos, and gums, have been used and continue to be used by Aboriginal Australians for numerous technical and cultural purposes. A historic collection of well-preserved native Australian plant exudates, assembled a century ago by plant naturalists, gives a rare window into the history and chemical composition of these materials. Here we report the full hierarchical characterization of four genera from this collection, Xanthorrhoea, Callitris, Eucalyptus, and Acacia, from the local elemental speciation, to functional groups and main molecular markers. We use high-resolution X-ray Raman spectroscopy (XRS) to achieve bulk-sensitive chemical speciation of these plant exudates, including insoluble, amorphous, and cross-linked fractions, without the limitation of invasive and/or surface specific methods. Combinatorial testing of the XRS data allows direct classification of these complex natural species as terpenoid, aromatic, phenolic, and polysaccharide materials. Differences in intragenera chemistry was evidenced by detailed interpretation of the XRS spectral features. We complement XRS with Fourier-transform infrared (FT-IR) spectroscopy, gas chromatography–mass spectrometry (GC-MS), and pyrolysis–GC-MS (Py-GC-MS). This multimodal approach provides a fundamental understanding of the chemistry of these natural materials long used by Aboriginal Australian peoples.

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

Exploring the origin of the distance bimodality of stars in the periphery of the Small Magellanic Cloud with APOGEE and Gaia

ABSTRACT The Magellanic Cloud system represents a unique laboratory for study of both interacting dwarf galaxies and the ongoing process of the formation of the Milky Way and its halo. We focus on one aspect of this complex, three-body interaction – the dynamical perturbation of the Small Magellanic Cloud (SMC) by the Large Magellanic Cloud (LMC), and specifically potential tidal effects on the SMC’s eastern side. Using Gaia astrometry and the precise radial velocities (RVs) and multielement chemical abundances from Apache Point Observatory Galactic Evolution Experiment (APOGEE-2) Data Release 17, we explore the well-known distance bimodality on the eastern side of the SMC. Through estimated stellar distances, proper motions, and RVs, we characterize the kinematics of the two populations in the bimodality and compare their properties with those of SMC populations elsewhere. Moreover, while all regions explored by APOGEE seem to show a single chemical enrichment history, the metallicity distribution function (MDF), of the ‘far’ stars on the eastern periphery of the SMC is found to resemble that for the more metal-poor fields of the western periphery, whereas the MDF for the ‘near’ stars on the eastern periphery resembles that for stars in the SMC Centre. The closer eastern periphery stars also show RVs (corrected for SMC rotation and bulk motion) that are, on average, approaching us relative to all other SMC populations sampled. We interpret these trends as evidence that the near stars on the eastern side of the SMC represent material pulled out of the central SMC as part of its tidal interaction with the LMC.

Almeida, Andres (ORCID:0009000007332479)↗
DOE OSTI2022

Fermi level tuning and double-dome superconductivity in the kagome metal CsV 3 Sb 5 – x Sn x

The recently reported AV 3 Sb 5 (A = K , Rb, Cs) family of kagome metals are candidates for unconventional superconductivity and chiral charge density wave (CDW) order; both potentially arise from nested saddle points in their band structures close to the Fermi energy. Here, we use chemical substitution to introduce holes into CsV 3 Sb 5 and unveil an unconventional coupling of the CDW and superconducting states. Specifically, we generate a phase diagram for CsV 3 Sb 5 – x Sn x that illustrates the impact of hole doping the system and lifting the nearest van Hove singularity toward and above E F . Superconductivity exhibits a nonmonotonic evolution with the introduction of holes, resulting in two “domes” peaked at 3.6 and 4.1 K and the rapid suppression of three-dimensional CDW order. Further, the evolution of CDW and superconducting order is compared with the evolution of the electronic band structure of CsV 3 Sb 5 – x Sn x , where the complete suppression of superconductivity seemingly coincides with an electronlike band comprised of Sb p z orbitals pushed above E F .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Data for "Soil texture and environmental conditions influence the biogeochemical responses of soils to drought and flooding"

This dataset contains data used for the paper "Soil texture and environmental conditions influence the biogeochemical responses of soils to drought and flooding". The Related References field will be updated with a full citation when available.Climate change is intensifying the global water cycle, with increased frequency of drought and flood. Water is an important driver of soil carbon dynamics, and it is crucial to understand how moisture disturbances will affect carbon availability and fluxes in soils. Here we investigate the role of water in substrate-microbe connectivity and soil carbon cycling under extreme moisture conditions. We collected soils from Alaska, Florida, and Washington USA, and incubated them under Drought and Flood conditions. Drought had a stronger effect on soil respiration, pore-water carbon, and microbial community composition than flooding. Soil response was not consistent across sites, and was influenced by site-level pedological and environmental factors. Soil texture and porosity can influence microbial access to substrates through the pore network, driving the chemical response. Further, the microbial communities are adapted to the historic stress conditions at their sites and therefore show site-specific responses to drought and flood.This dataset contains a compressed (.zip) archive of the data and R scripts used for this manuscript. The dataset includes files in .csv and .txt format, which can be accessed and processed using MS Excel or R. This archive can also be accessed on GitHub at https://github.com/kaizadp/TES_3Soils_2021 (DOI: 10.5281/zenodo.4792655).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Carbon dioxide (CO2) flux, amplicon sequencing and liquid chromatography–mass spectrometry (LC-MS) data for pyrogenic organic matter (PYOM) amended soil incubations in lab, Madison, WI, 2021-22

This dataset comprises soil-pyrogenic organic matter (PyOM) incubation experiments conducted in a laboratory setting. The focus was on measuring carbon dioxide (CO2) flux emitted in the headspace of incubation jars over a one-month period. The aim was to estimate carbon mineralization from two different carbon fractions in PyOM, as well as carbon mineralization from soil organic carbon (SOC). Bacterial and fungal community profiles were tracked at various time points during the incubation to observe changes in the overall community and specific responders to PyOM. LC-MS analysis of soil samples was also performed to monitor changes in the soil's chemical composition.The provided dataset includes processed CO2 flux measurements obtained from the Picarro-multiplexer measurement setup for each sample incubation jar. This data is available in the "CO2Flux.csv" file. Additionally, the dataset includes CO2 flux data partitioned to estimate mean carbon mineralization from the two PyOM carbon fractions, bulk PyOM, and SOC. The cumulative carbon mineralization data is provided in "cml_respired.csv," while the rate of carbon mineralization data is in "rate_respired.csv." The file "cml_respired_lastcyc.csv" contains cumulative carbon mineralization data for the PyOM carbon fractions, bulk PyOM, and SOC throughout the entire incubation period.For the LC-MS analysis, the raw data can be found in the "20220721_NZ_PeakHeights_FinalAnalysis.csv" file, while sample metadata is provided in "20220721_NZpilot_Metadata.csv". Processed LC-MS data is available in the file "20220721_NZ_FINAL_msdat_sub3.csv". Lastly, the dataset includes the relative abundance data for bacterial genera that exhibited a significant positive response to the addition of PyOM produced at 350 degrees Celsius, which can be found in "resp_genera_350.csv".

54 ENVIRONMENTAL SCIENCES↗