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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Two decades of fumigation data from the Soybean Free Air Concentration Enrichment facility

Abstract The Soybean Free Air Concentration Enrichment (SoyFACE) facility is the longest running open-air carbon dioxide and ozone enrichment facility in the world. For over two decades, soybean, maize, and other crops have been exposed to the elevated carbon dioxide and ozone concentrations anticipated for late this century. The facility, located in East Central Illinois, USA, exposes crops to different atmospheric concentrations in replicated octagonal ~280 m 2 Free Air Concentration Enrichment (FACE) treatment plots. Each FACE plot is paired with an untreated control (ambient) plot. The experiment provides important ground truth data for predicting future crop productivity. Fumigation data from SoyFACE were collected every four seconds throughout each growing season for over two decades. Here, we organize, quality control, and collate 20 years of data to facilitate trend analysis and crop modeling efforts. This paper provides the rationale for and a description of the SoyFACE experiments, along with a summary of the fumigation data and collation process, weather and ambient data collection procedures, and explanations of air pollution metrics and calculations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

High-Performance, Hybrid Polymer Membrane for Carbon Dioxide Separation from Ambient Air

The Department of Energy (DOE) seeks to develop carbon capture materials specifically tailored for Direct Air Capture (DAC) processes. Related to this, they require recipients to develop novel DAC materials such as: solvents, membranes, or sorbents that demonstrate high affinities or capacities for carbon dioxide (CO2) at concentrations typically available in air and at near ambient conditions. Toward this, InnoSense LLC (ISL) is developing High-Performance, Hybrid Polymer Membranes (HypoMemTM) for Carbon Dioxide Separation from Ambient Air. HypoMem consists of two major layers. The first layer is the active layer which contains the active ingredients that help to separate CO2 from ambient air. The second is the support layer that provides good mechanical support to have a free-standing membrane without interfering with the properties of the active layer.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2021

Effect of chloride ingress on self-healing recovery of smart cementitious composite incorporating crystalline admixture and MgO expansive agent

Highlights: • Crack closure under wet/dry cycles in chloride solution is higher than the one in distilled water. • Element analysis shows that calcium is vital for crack healing either in water or chloride solution. • AFm is consumed by chloride ion to form Fs, and Fs were decomposed to AH{sub 3} by carbonation. • Soluble reactive silica reacts with calcium hydrate to form C-S-H gel to heal concrete cracks. • Expansion of magnesium hydroxide facilitates crack self-healing by interconnected network. In this study, the effect of chloride environment containing various concentrations of chloride ion (Cl{sup −}) on self-healing performance of pre-cracked cementitious composite containing crystalline admixture (CA) and MgO expansive agent (MEA) was investigated under wet-dry cycles in chloride solutions. The results revealed that the Cl{sup −} changed the mineralogy of self-healing products, and consequently, affected the crack closure ratio and mechanical strength recovery. When self-healing occurred in distilled water, a large amount of ettringite (AFt) were detected, whereas in Cl{sup −} solution, monosulfate (AFm) was consumed by Cl{sup −} to form Friedel's salt (Fs), and then the Fs was decomposed to Al(OH){sub 3}(AH{sub 3}) due to carbonation. During the multiphase conversion process, hydroxide (OH{sup −}) was released into crack solution, therefore the dissolved carbon dioxide (CO{sub 2}) concentration was increased. The carbonation of the crystals formed in cracks was accelerated with the volume expansion, which achieved rapid crack sealing but contributed little to the mechanical performance recovery.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modification of CO 2 /H 2 O selectivity of polymer for carbon capture materials

Today, the atmospheric carbon dioxide (CO 2 ) concentration is 421ppm, over one hundred ppm higher than it was at any point in the last 800,000 years (NASA, 2023). Multiple strategies are necessary to reduce the presence of carbon dioxide in the atmosphere. Besides limiting CO 2 output, carbon capture technology is essential to reduce the overall amount of CO 2 . The Microencapsulated CO 2 Sorbents (MECS) team at Lawrence Livermore National laboratory has developed technologies that can capture CO 2 inside microcapsules, where it can be temporarily stored and later released. In 2017, the commercial potential of these microcapsules was recognized. The brewing industry only requires about one third of the CO 2 it releases for carbonization and packaging, which Congwang Ye and Lionel Keene learned when they met with leaders of small breweries in Colorado to discuss employing carbon capture microcapsules in their processes to reduce their carbon footprint and production costs (Thomas, 2017). The breweries were interested in the technology, but the existing microcapsules require hydration, which is an expensive process for small brewers. In order to develop the microcapsules so they can be commercialized, it is essential to reduce their water loss to improve efficiency and reduce costs for the customers. One method to resolve this issue is to alter the membrane formulation by adding a material that is known to be hydrophobic to decrease the water permeability of the entire membrane. The goal of this project was to study the effect of dispersing a nanomaterial in the polymer membrane shells of microcapsules on the water vapor and carbon dioxide permeability of the membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dissolved Inorganic Carbon-Accumulating Complexes from Autotrophic Bacteria from Extreme Environments

To facilitate the synthesis of biomass from CO 2 , autotrophic organisms use a variety of mechanisms to increase intracellular DIC concentrations. A novel type of multi-subunit complex has recently been described, which has been shown to generate measurably elevated intracellular DIC concentrations in three species of bacteria, raising the question of whether these complexes share this capability across the 17 phyla of Bacteria and Archaea where they are found.

carbon fixation↗
DOE OSTI2020

Physiological Responses of Populus trichocarpa to Warming

This data set contains empirical physiological, morphological, and chemical data collected over time on Western Black Cottonwood (Populs trichocarpa Torr. & A.Gray ex Hook., Salicaceae) clones, between July and December 2019 at Oak Ridge National Lab. The project was designed to experimentally warm P. trichocarpa clones and assess their physiological acclimation of leaves versus roots. Branch cuttings of the Nisqually-1 genotype were obtained from the US Department of Energy Joint Genome Institute (JGI) in Stanford, California, and propagated in leach tubes. Ninety genetically identical clones were planted into specially constructed mesocosm growth boxes and grown for an initial six weeks in the greenhouse, and then grown at three temperature treatments for ten weeks. The daytime air temperatures of treatments were approximately 25°C, 29°C, and 33°C. Measurements on plant physiology and growth were conducted at various intervals throughout the experiment. This dataset contains nine data files in comma separate (*.csv) format.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Estimating the Likelihood of GHG Concentration Scenarios From Probabilistic Integrated Assessment Model Simulations

The climate scenarios that form the basis for current climate risk assessments have no assigned probabilities, and this impedes the analysis of future climate risks. This paper proposes an approach to estimate the probability of carbon dioxide (CO 2 ) concentration scenarios used in key climate change modeling experiments. It computes the CO 2 emissions compatible with the concentrations prescribed by Coupled Model Intercomparison Project Phase 5 (CMIP5) and CMIP6 experiments. The distribution of these compatible cumulative emissions is interpreted as the likelihood of future emissions given a concentration pathway. Using Bayesian analysis, the probability of each pathway can be estimated from a probabilistic sample of future emissions. The approach is demonstrated with five probabilistic CO 2 emission simulation ensembles from four Integrated Assessment Models (IAM), leading to independent estimates of the likelihood of the CO 2 concentration of Representative Concentration Pathways (RCP) and Shared Socioeconomic Pathways (SSP). Results suggest that SSP5-8.5 is unlikely for the second half of the 21st century, but offer no clear consensus on which of the remaining scenarios is most likely. Estimates of likelihoods of CO 2 concentrations associated with RCP and SSP scenarios are affected by sampling errors, differences in emission sources simulated by the IAMs, and a lack of a common experimental framework for IAM simulations. These shortcomings, along with a small IAM ensemble size, limit the applicability of the results presented here. Novel joint IAM and the Earth System Model experiments are needed to deliver actionable probabilistic climate risk assessments.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Interaction of Concentrated (68%) Aqueous Nitric Acid Solutions with Cheesecloth: A TGA-DSC-MS Study

The exposure of cotton cheesecloth to concentrated aqueous solutions of nitric acid reduced the onset of combustion by 30-40°C (from ~350°C to ~310°C) relative to that of both unexposed cheesecloth and cheesecloth that was rinsed immediately following exposure to the same solution. Cheesecloth exposed to concentrated (68%) nitric acid underwent three exothermic pre-combustion reactions which onset at 125-135°C, 160- 170°C and 200-210°C. These reactions give off mostly water vapor, with lesser amounts of NO and carbon dioxide. Exposure to concentrated nitric acid damages the cellulose polymers, oxidizing them, reducing them in length, and increasing their reactivity in response to thermal stress. Cheesecloth which was rinsed after exposure behaved similarly to unexposed cheesecloth, indicating that NC was not formed on exposure to the concentrated aqueous nitric acid solution. The addition of a 239Pu – 241Am spike in an aqueous nitric – hydrofluoric solution to the cheesecloth reduced the onset temperature of the first exothermic reaction to 126°C and lowered the onset temperature of combustion from ~310°C to ~275°C. When dried on to cellulose substrates in the presence of excess nitrate, metal ions may act as oxidizers, or may catalyze the oxidation of the carbonaceous material, lowering ignition temperatures. No evidence for the formation of nitrocellulose following the exposure of cheesecloth to nitric acid was observed during this study

36 MATERIALS SCIENCE↗
DOE OSTI2021

Assessing the representation of the Australian carbon cycle in global vegetation models

Australia plays an important role in the global terrestrial carbon cycle on inter-annual timescales. While the Australian continent is included in global assessments of the carbon cycle such as the global carbon budget, the performance of dynamic global vegetation models (DGVMs) over Australia has rarely been evaluated. We assessed simulations of net biome production (NBP) and the carbon stored in vegetation between 1901 to 2018 from 13 DGVMs (TRENDY v8 ensemble). We focused our analysis on Australia's short-term (inter-annual) and long-term (decadal to centennial) terrestrial carbon dynamics. The TRENDY models simulated differing magnitudes of NBP on inter-annual timescales, and these differences resulted in significant differences in long-term vegetation carbon accumulation (–4.7 to 9.5 Pg C). We compared the TRENDY ensemble to several satellite-derived datasets and showed that the spread in the models' simulated carbon storage resulted from varying changes in carbon residence time rather than differences in net carbon uptake. Differences in simulated long-term accumulated NBP between models were mostly due to model responses to land-use change. The DGVMs also simulated different sensitivities to atmospheric carbon dioxide (CO 2 ) concentration, although notably, the models with nutrient cycles did not simulate the smallest NBP response to CO 2 . Our results suggest that a change in the climate forcing did not have a large impact on the carbon cycle on long timescales. However, the inter-annual variability in precipitation drives the year-to-year variability in NBP. We analysed the impact of key modes of climate variability, including the El Niño–Southern Oscillation (ENSO) and the Indian Ocean Dipole (IOD), on NBP. While the DGVMs agreed on sign of the response of NBP to El Niño and La Niña and to positive and negative IOD events, the magnitude of inter-annual variability in NBP differed strongly between models. In addition, we find that differences in the timing of simulated phenology and fire dynamics are associated with differences in simulated or prescribed vegetation cover and process representation. We further find model disagreement in simulated vegetation carbon, phenology, and apparent carbon residence time, indicating that the models have different types and coverage of vegetation across Australia (whether prescribed or emergent). Our study highlights the need to evaluate parameter assumptions and the key processes that drive vegetation dynamics, such as phenology, mortality, and fire, in an Australian context to reduce uncertainty across models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

CO2 and CH4 leaf-level fluxes and soil porewater concentrations from common vegetation patches in Louisiana’s coastal wetlands

This dataset contains leaf-level flux and soil porewater concentration measurements of carbon dioxide (CO2) and methane (CH4 ) in plots in the footprint of Ameriflux sites US-LA2 and US-LA3. Leaf fluxes in US-LA2 were measured on patches dominated by Sagittaria lancifolia and co-dominated by Sagittaria lancifolia and Typha latifolia. In US-LA3, fluxes were measured from distinct Juncus roemerianus and Spartina alterniflora patches. The porewater concentrations were collected across a vertical profile (~50 cm depth) at centric locations within 25 m2 plots where we measured the leaf fluxes. US-LA3 included an additional set of measurements in open water spots. We aimed to evaluate differences in leaf fluxes and porewater pools of CO2 and CH4 of representative ecohydrological patches across a salinity gradient. We also used this dataset to help develop ELM-Wet, a more realistic representation of wetland carbon biogeochemical processes within the U.S. Department of Energy’s Energy Exascale Earth System Model (E3SM) Land Model version 1 (ELM v.1). The files can be opened with regular text editors or spreadsheet programs. Version 2.0 (8/26/2025): This is the latest version of this dataset. The update includes additional samples of soil porewater CH4/CO2 concentrations from June-2021 to November-2022, as well as minor adjustments made to V1 samples via changing Henry's solubility to account for porewater salinity. Additionally leaf-level measurments of spectral indices, PSRI, NDVI, and PRI have been added to complement Leaf-level flux measurements. All V1 data sets have been integrated into V2 sheets, ensuring data from the previous version is contained with the additional samples and consistent with V2 metadata.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Quantifying airborne fraction trends and the destination of anthropogenic CO 2 by tracking carbon flows in a simple climate model

Abstract Atmospheric carbon dioxide (CO 2 ) concentrations have increased as a direct result of human activity and are at their highest level over the last 2 million years, with profound impacts on the Earth system. However, the magnitude and future dynamics of land and ocean carbon sinks are not well understood; therefore, the amount of anthropogenic fossil fuel emissions that remain in the atmosphere (the airborne fraction) is poorly constrained. This work aims to quantify the sources and controls of atmospheric CO 2 , the fate of anthropogenic CO 2 over time, and the likelihood of a trend in the airborne fraction. We use Hector v3.0, a coupled simple climate and carbon cycle model with the novel ability to explicitly track carbon as it flows through the Earth system. We use key model parameters in a Monte Carlo analysis of 15 000 model runs from 1750 to 2300. Results are filtered for physical realism against historical observations and CMIP6 projection data, and we calculate the relative importance of parameters controlling how much anthropogenic carbon ends up in the atmosphere. Modeled airborne fraction was roughly 52%, consistent with observational studies. The overwhelming majority of model runs exhibited a negative trend in the airborne fraction from 1960–2020, implying that current-day land and ocean sinks are proportionally taking up more carbon than the atmosphere. However, the percentage of atmospheric CO 2 derived from anthropogenic origins can be much higher because of Earth system feedbacks. We find it peaks at over 90% between 2010–2050. Moreover, when looking at the destination of anthropogenic fossil fuel emissions, only a quarter ends up in the atmosphere while more than half of emissions are taken up by the land sink on centennial timescales. This study evaluates the likelihood of airborne fraction trends and provides insights into the dynamics of anthropogenic CO 2 in the Earth system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Comparisons of bpy and phen Ligand Backbones in Cr-Mediated (Co-)Electrocatalytic CO 2 Reduction

Due to the rise in atmospheric carbon dioxide (CO 2 ) concentrations, there is a need for the development of new strategies to enhance the selectivity and activity of the electrocatalytic conversion of CO 2 to value-added products. The incorporation of redox mediators (RMs) as co-catalysts to enhance the transfer of redox equivalents during catalysis has been gaining more attention in recent years across a variety of small molecule transformations. We have shown that using Cr-centered complexes with sulfone-based RMs leads to an enhancement of CO 2 reduction electrocatalysis under protic conditions via an inner-sphere mechanism. In these co-catalytic systems, an oxygen atom of the reduced RM binds to the Cr center to form a key intermediate stabilized by pancake bonding between the reduced aromatic components of the catalyst ligand backbone and the RM. This interaction facilitates the transfer of an electron and accesses a more kinetically favorable reaction pathway. Here, we show that expanding the aromatic character of the ligand backbone of the catalyst as well as the RM can cause a greater enhancement of co-electrocatalytic activity. These results suggest that further activity improvements can be achieved by focusing on the kinetic and thermodynamic parameters which control association between the catalyst and RM.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chemistry data from soils and soil incubation experiments from the whole-soil warming experiment at Blodgett Forest, CA, 2018, from: “Metabolic capabilities mute positive response to direct and indirect impacts of warming throughout the soil profile”

This dataset contains soil chemistry data of soils from the whole-soil warming experiment at Blodgett Forest in June 2018, and from laboratory incubation experiments conducted with a subset of those soils. Soil samples were collected at five different depths down to 80 cm from soil plots continuously heated by 4°C above ambient temperature for 4.5 years, and from the respective unheated control plots. Incubation experiments were conducted for 28 days with soils collected between 10-30 cm (“surface soils”) and 60-80 cm (“subsoils”) from heated and unheated field plots, amended in the laboratory with cellobiose (C, carbon amendment), or cellobiose plus ammonium and phosphate (CNP, combined carbon, nitrogen and phosphorus amendment). The dataset includes separate files for: (i) total carbon and nitrogen concentrations of initial field soils; (ii) carbon dioxide efflux rates at multiple times throughout the incubation experiments, and respective cumulative carbon dioxide efflux rates, as well as inorganic nitrogen concentrations at the beginning and end of the incubations, and net nitrogen mineralization rates and carbon use efficiency calculated at the end of the incubation. Analysis of these data has been published in Dove et al., (2021), “Metabolic capabilities mute positive response to direct and indirect impacts of warming throughout the soil profile. Nat. Commun. 12:2089”, https://doi.org/10.1038/s41467-021-22408-5. This research was performed as part of the TES Belowground Biogeochemistry SFA project at Lawrence Berkeley National Laboratory.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Air quality and comfort constrained energy efficient operation of multi-zone buildings

Maintaining indoor air quality (IAQ) through effective ventilation is essential for the well-being and productivity of building occupants. Control strategies aimed at improving the efficiency of heating, ventilation and air conditioning (HVAC) systems must jointly determine ventilation and heating and cooling processes. Here, in this paper, we study the problem of minimizing the energy consumption of the HVAC system in a multi-zone building, while meeting thermal comfort and IAQ requirements. We first perform a steady state analysis of the zonal carbon dioxide (CO 2 ) concentration and the temperature dynamics. The resulting expressions are convex in the zonal mass flow rates and zonal temperatures. Guided by the steady state solutions for meeting the thermal comfort constraints, we develop two control policies for improving the energy efficiency of building HVAC systems while jointly satisfying indoor temperature and IAQ constraints. We compare the performance of our proposed approaches with those of multiple baseline approaches which implement separate regimes for controlling zonal temperature and IAQ for a typical work-day in a multi-zone campus building. We have evaluated the performance of our proposed approaches under varying levels of flexibility in zonal temperatures. We have shown that zonal temperature flexibility can result in energy savings up to 32% (for the same control strategies) as compared to the case where no such flexibility is permitted. Our proposed approaches were seen to offer potential savings of nearly 29% compared to the baseline.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Performance and cost analysis of liquid fuel production from H 2 and CO 2 based on the Fischer-Tropsch process

Electro-fuels can be produced from concentrated sources of carbon dioxide and hydrogen using electricity generated from renewable sources; this process enables energy storage at high volumetric energy density. Among the electro-fuels options, FT (Fischer-Tropsch) fuel is attractive for heavy-duty trucks and non-road transportation applications. This study conducts a techno-economic analysis of FT liquid fuel production from H 2 and CO 2 using a detailed performance analysis. Minimum fuel selling price is estimated for a broad range of H 2 and CO 2 prices and for a range of potential CO 2 credits. The analysis indicates that H 2 price has the largest impact on the minimum selling price of FT fuel. FT fuel production with a CO 2 price of $17.3/metric ton requires an H 2 price of $0.8/kg to be cost-competitive with the pre-tax petroleum diesel price of $3.1/gal in 2050 (before the application of any CO 2 credits). When the H 2 price is $2.0/kg from central water electrolysis (2020 target), the minimum selling price of the FT fuel is $5.4–5.9/gal. A sensitivity analysis shows that future system optimization of FT fuel production could focus on improving the H 2 and CO 2 recycle contributions and FT fuel conversion ratio. The analysis results can be combined with various upstream systems for H 2 and CO 2 production.

08 HYDROGEN↗
DOE OSTI2023

Probing pH-Dependent Dehydration Dynamics of Mg and Ca Cations in Aqueous Solutions with Multi-Level Quantum Mechanics/Molecular Dynamics Simulations

The dehydration of aqueous calcium and magnesium cations is the most fundamental process controlling their reactivity in chemical and biological phenomena, such as the formation of ionic solids or passing through ion channels. It holds particular relevance in light of recent advancements in the development of carbon capture techniques that rely on mineralization for long-term carbon storage. Specifically, dehydration of Ca 2+ and Mg 2+ is a key step in proposed carbon capture processes aiming to exploit the relatively high concentration of dissolved carbon dioxide in seawater via the formation of carbonate minerals from solvated Ca 2+ and Mg 2+ cations for sequestration and storage. Nevertheless, atomic-scale understanding of the dehydration of aqueous Ca 2+ and Mg 2+ cations remains limited. Here, we utilize rare event sampling via density functional theory molecular dynamics and embedded wavefunction theory calculations to elucidate the dehydration dynamics of aqueous Ca 2+ and Mg 2+ . Emphasis is placed on the investigation of the effect pH has on the stability of the different coordination environments. Here, our results reveal significant differences in the dehydration dynamics of the two cations and provide insight into how they may be modulated by pH changes.

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

Biomass increases attributed to both faster tree growth and altered allometric relationships under long‐term carbon dioxide enrichment at a temperate forest

Abstract Increases in atmospheric carbon dioxide (CO 2 ) concentrations are expected to lead to increases in the rate of tree biomass accumulation, at least temporarily. On the one hand, trees may simply grow faster under higher CO 2 concentrations, preserving the allometric relations that prevailed under lower CO 2 concentrations. Alternatively, the allometric relations themselves may change. In this study, the effects of elevated CO 2 (eCO 2 ) on tree biomass and allometric relations were jointly assessed. Over 100 trees, grown at Duke Forest, NC, USA, were harvested from eight plots. Half of the plots had been subjected to CO 2 enrichment from 1996 to 2010. Several subplots had also been subjected to nitrogen fertilization from 2005 to 2010. Allometric equations were developed to predict tree height, stem volume, and aboveground biomass components for loblolly pine ( Pinus taeda L.), the dominant tree species, and broad‐leaved species. Using the same diameter‐based allometric equations for biomass, it was estimated that plots with eCO 2 contained 21% more aboveground biomass, consistent with previous studies. However, eCO 2 significantly affected allometry, and these changes had an additional effect on biomass. In particular, P. taeda trees at a given diameter were observed to be taller under eCO 2 than under ambient CO 2 due to changes in both the allometric scaling exponent and intercept. Accounting for allometric change increased the treatment effect of eCO 2 on aboveground biomass from a 21% to a 27% increase. No allometric changes for the nondominant broad‐leaved species were identified, nor were allometric changes associated with nitrogen fertilization. For P. taeda , it is concluded that eCO 2 affects allometries, and that knowledge of allometry changes is necessary to accurately compute biomass under eCO 2 . Further observations are needed to determine whether this assessment holds for other taxa.

Kim, Dohyoung↗