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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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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Amidination of ligands for chemical and field-effect passivation stabilizes perovskite solar cells

Surface passivation has driven the rapid increase in the power conversion efficiency (PCE) of perovskite solar cells (PSCs). However, state-of-the-art surface passivation techniques rely on ammonium ligands that suffer deprotonation under light and thermal stress. We developed a library of amidinium ligands, of interest for their resonance effect–enhanced N–H bonds that may resist deprotonation, to increase the thermal stability of passivation layers on perovskite surfaces. This strategy resulted in a >10-fold reduction in the ligand deprotonation equilibrium constant and a twofold increase in the maintenance of photoluminescence quantum yield after aging at 85°C under illumination in air. Here, implementing this approach, we achieved a certified quasi–steady-state PCE of 26.3% for inverted PSCs; and we report retention of ≥90% PCE after 1100 hours of continuous 1-sun maximum power point operation at 85°C.

Yang, Yi↗
DOE OSTI2026

Design Trade-Offs in Composite Fuel Cell Membranes: Effects of Reinforcement and Chemical Additives

Perfluorosulfonic acid (PFSA) membranes are critical components in proton exchange membrane fuel cells, where performance depends on balancing ionic conductivity, mechanical durability, and chemical stability. This study characterizes a composite membrane (NC700) featuring PFSA-impregnated expanded polytetrafluoroethylene (ePTFE) reinforcement and cerium-based radical scavengers, benchmarked against unreinforced NR211. Complementary techniques, including electron microscopy, X-ray scattering, infrared spectroscopy, thermogravimetric analysis, and dynamic mechanical analysis, identify the structural and compositional strategies employed in NC700. Water sorption isotherms reveal lower water uptake for NC700 across all conditions, attributed to reinforcement and cerium incorporation. Reinforcement reduces in-plane swelling from 11% to 2.1% at 90% RH, confirming strong swelling anisotropy, while maintaining mechanical properties at elevated temperatures. While the ionic conductivity of NC700 is approximately 10% lower than that of NR211, the reduced thickness yields a 40% decrease in calculated area-specific resistance, suggesting the composite architecture can favorably shift the conductivity-stability trade-off. The composite structure also reduces gas permeability, indicating potential for improved separator function alongside favorable transport properties. Systematic deconvolution of reinforcement and additive contributions shows that conductivity losses from cerium incorporation are largely offset by gains from the lower equivalent-weight polymer, providing quantitative relationships that may guide composite membrane design for fuel cells and other electrochemical applications.

25 ENERGY STORAGE↗
DOE OSTI2024

Optimal Design Approaches for Cost-Effective Manufacturing & Deployment of Chemical Process Families with Economies of Numbers

This work builds on our optimization formulation for process family design and extends it to explicitly include the benefits of economies of numbers. Economies of numbers (sometimes referred to as economies of learning) is a well-documented cost saving phenomenon. It characterizes the manufacturing cost savings due to standardization; in particular, it is capturing the correlation between cost reduction and the number of times a particular product has been manufactured. Following an approach similar to that in Gazzaneo et al. (2022), we develop a costing expression that captures material costs and manufacturing costs as a function of the number of unit modules produced. If the platform has a small number of unit module designs, we will be manufacturing a large number of each of these designs and gaining increased benefits from economies of numbers. However, increasing the number of unit module designs in the platform gives each process variant more choices to consider (at the cost of reducing economies of numbers). The optimization formulation in Stinchfield et al. (2023) pre-specified the number of unit module designs to be included in the platform. Here, by including the economies of numbers explicitly, we allow the mathematical programming formulation to determine the optimal number of unit module designs to include in the platform. We demonstrate this approach on multiple case studies, including MEA-based carbon capture and water desalination.

Stinchfield, Georgia↗
NASA NTRS1987

Non-equilibrium effects in high temperature chemical reactions

Reaction rate data were collected for chemical reactions occurring at high temperatures during reentry of space vehicles. The principle of detailed balancing is used in modeling kinetics of chemical reactions at high temperatures. Although this principle does not hold for certain transient or incubation times in the initial phase of the reaction, it does seem to be valid for the rates of internal energy transitions that occur within molecules and atoms. That is, for every rate of transition within the internal energy states of atoms or molecules, there is an inverse rate that is related through an equilibrium expression involving the energy difference of the transition.

Johnson, Richard E.↗
NASA NTRS1988

The effects of finite rate chemical processes on high enthalpy nozzle performance - A comparison between SPARK and SEAGULL

The generalized chemistry version of the computer code SPARK is extended to include two higher-order numerical schemes, yielding fourth-order spatial accuracy for the inviscid terms. The new and old formulations are used to study the influences of finite rate chemical processes on nozzle performance. A determination is made of the computationally optimum reaction scheme for use in high-enthalpy nozzles. Finite rate calculations are compared with the frozen and equilibrium limits to assess the validity of each formulation. In addition, the finite rate SPARK results are compared with the constant ratio of specific heats (gamma) SEAGULL code, to determine its accuracy in variable gamma flow situations. Finally, the higher-order SPARK code is used to calculate nozzle flows having species stratification. Flame quenching occurs at low nozzle pressures, while for high pressures, significant burning continues in the nozzle.

Carpenter, M. H.↗
NASA NTRS1992

Chemical Release and Radiation Effects Satellite (CRRES) program archiving and Puerto Rican sounding rocket campaign

The tasks undertaken as part of this contract included the continued coordination and documentation of the CRRES program and the development of an archive that details, in easily accessible form, the experimental results obtained by the CRRES Program. Details of the work undertaken and results achieved are summarized in the following sections. The achievement of this goal is clearly demonstrated in the appendices attached to this report and the success, in both scientific and public relation terms, of the El Coqui rocket campaign.

Miller, George P.↗
NASA NTRS1989

The use of direct numerical simulation in the study of turbulent, chemically-reacting flows

Full turbulence simulations are used here to study the effects of chemical heat release on the large-scale structures in turbulent mixing layers. In agreement with laboratory results, it is found that the heat release lowers the rate at which the mixing layer grows and reduces the rate at which chemical products are formed. The baroclinic torque and thermal expansion in the mixing layer produce changes in the flame vortex structure that act to produce more diffuse vortices than in the constant density case, resulting in lower rotation rates of the large-scale structures. Previously unexplained anomalies observed in the mean velocity profiles of reacting jets and mixing layer are shown to result from vorticity generation by baroclinic torques. Calculations of the energy in the various wavenumbers shows that the heat release has a stabilizing effect on the growth rate of individual modes. This methodology can be applied for Reynolds numbers less than several hundred and for Damkoehler numbers less than about ten.

Riley, J. J.↗
NASA NTRSDate not supplied

Double ChemFET for the In-Line Monitoring of Silver Dosing in Potable Water Systems

With NASA Advanced Exploration Systems (AES) Life Support Systems (LSS)baselining ionic silver (Ag+) as the biocide of choice, development in silver monitoring technologies becomes necessary to monitor and control Ag+ release. Ion-selective field effect transistors (ISFETs) and chemically-sensitive field effect transistors (ChemFETs) are capable of selective detection of Ag+ with reversible and low detection limit responses. However, one major hurdle to ChemFET technologies is the requirement of a reference electrode, which can leak its fill solution into the potable water system and is prone to drift requiring frequent calibration. To circumvent this issue, a double chemically-sensitive field effect transistor (dChemFET) is proposed. The dChemFET uses a second ChemFET to selectively monitor the counter ion and serves in place of the reference electrode. This work reports on the development of the dChemFET, starting with the development of the Ag+ andNO3- ion selective membranes (ISMs) to be used in the ChemFETs. The Ag+ ISM was tested in 50-105 ppb Ag+ and showed linear, sub-Nernstian response. The NO3- ISM was tested in50-500 ppb silver ion equivalents of nitrate ion (Ag+ equiv. of NO3-) and shows linear, sub-Nernstian response as well . However, the Ag+ and NO3- ISMs face significant challenges in terms of drift that obstruct its application for long-term monitoring, but it can serve as a starting point for demonstrating the dChemFET proof of concept.

John Abdou↗
NASA NTRSDate not supplied

Double ChemFET for the In-Line Monitoring of Silver Dosing in Potable Water Systems

With NASA Advanced Exploration Systems (AES) Life Support Systems (LSS) baselining ionic silver (Ag+) as the biocide of choice, development in silver monitoring technologies becomes necessary to monitor and control Ag+ release. Ion-selctive field effect transistors (ISFETs) and chemically-sensitive field effect transistors (ChemFETs) are capable of selective detection of Ag+ with reversible and low detection limit responses. However, one major hurdle to ChemFET technologies is the requirement of a reference electrode, which can leak its fill solution into the potable water system and is prone to drift requiring frequent calibration. To circumvent this issue, we are developing a double chemically-sensitive field effect transistor (dChemFET). The dChemFET uses a second ChemFET to selectively monitor the counter ion and serves in place of the reference electrode. We report our work in developing the dChemFET, starting with the development of the Ag+ and NO3- ion selective memberanes (ISMs) to be used in the ChemFETs. The Ag+ ISM has a detection range of 50-105 ppb . The counter ion ISM, NO3- ISM, has shown a detection range of 400-105 ppb. NO3- ISMs are limited in detecting at lower ppb levels required for the dChemFET application on the potable water system. In response to this issue, we also report our studies in using the Ag+ ISM to measure deionized (DI) water as a reference measurement to be implemented in-line before the Ag+ is dosed.

Lance Dean Delzeit↗
NASA NTRS1986

The effects of space radiation on a chemically modified graphite-epoxy composite material

The effects of the space environment on the engineering properties and chemistry of a chemically modified T300/934 graphite-epoxy composite system are characterized. The material was subjected to 1.0 x 10 to the 10th power rads of 1.0 MeV electron irradiation under vacuum to simulate 30 years in geosynchronous earth orbit. Monotonic tension tests were performed at room temperature (75 F/24 C) and elevated temperature (250 F/121 C) on 4-ply unidirectional laminates. From these tests, inplane engineering and strength properties (E sub 1, E sub 2, Nu sub 12, G sub 12, X sub T, Y sub T) were determined. Cyclic tests were also performed to characterize energy dissipation changes due to irradiation and elevated temperature. Large diameter graphite fibers were tested to determine the effects of radiation on their stiffness and strength. No significant changes were observed. Dynamic-mechanical analysis demonstrated that the glass transition temperature was reduced by 50 F(28 C) after irradiation. Thermomechanical analysis showed the occurrence of volatile products generated upon heating of the irradiated material. The chemical modification of the epoxy did not aid in producing a material which was more radiation resistant than the standard T300/934 graphite-epoxy system. Irradiation was found to cause crosslinking and chain scission in the polymer. The latter produced low molecular weight products which plasticize the material at elevated temperatures and cause apparent material stiffening at low stresses at room temperature.

Reed, S. M.↗
DOE OSTI2022

Chemical mixture exposure patterns and obesity among U.S. adults in NHANES 2005–2012

The effect of chemical exposure on obesity has raised great concerns. Real-world chemical exposure always imposes mixture impacts, however their exposure patterns and the corresponding associations with obesity have not been fully evaluated. To discover obesity-related mixed chemical exposure patterns in the general U.S. population. Sparse Decompositional Regression (SDR), a model adapted from sparse representation learning technique, was developed to identify exposure patterns of chemical mixtures with exclusion (non-targeted model) and inclusion (targeted model) of health outcomes. We assessed the relationships between the identified chemical mixture patterns and obesity-related indexes. We also conducted a comprehensive evaluation of this SDR model by comparing to the existing models, including generalized linear regression model (GLM), principal component analysis (PCA), and Bayesian kernel machine regression (BKMR). Eight core exposure patterns were identified using the non-targeted SDR model. Patterns of high levels of MEP, high levels of naphthalene metabolites (ΣOH-Nap), and a pattern of high exposure levels of MCOP, MCNP, and MCPP were positively associated with obesity. Patterns of high levels of BP3, and a pattern of higher mixed levels of MPB, PPB, and MEP were found to have negative associations. Associations were strengthened using the targeted SDR model. In the single chemical analysis by GLM, BP3, MBP, PPB, MCOP, and MCNP showed significant associations with obesity or body indexes. The SDR model exceeded the performance of PCA in pattern identification. Both SDR and BKMR identified a positive contribution of ΣOH-Nap and MCOP, as well as a negative contribution of BP3 and PPB to obesity. Our study identified five core exposure patterns of chemical mixtures significantly associated with obesity using the newly developed SDR model. The SDR model could open a new avenue for assessing health effects of environmental mixture contaminants.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Effects of composition and canister centerline cooling on microstructure, phase distribution, and chemical durability of dehalogenated iron phosphate waste forms

This paper discusses the effects of composition and canister centerline cooling (CCC) on the microstructures, phase distribution, and chemical durability of dehalogenated iron phosphate waste forms starting from chloride-based salt simulants including KCl (Simple-1), NdCl3 (Simple-2), SrCl2 (Simple-3), LaCl3 (Simple-4), LiCl (Simple-5), CsCl (Simple-6), as well as a complex simulant containing LiCl, KCl, NaCl, CsI, SrCl2, CeCl3, and NdCl3 called ERV2. The simulants represent salt constituents present in salt wastes from electrorefiners used for electrochemical reprocessing. These salts are reacted with ammonium dihydrogen phosphate (ADP) resulting in a NH4Cl (dechlorination) byproduct that is captured and phosphate product containing oxides of the salt cations. This product is further stabilized using Fe2O3 through vitrification at higher temperatures. The results presented herein describe the properties of CCC-treated materials following dechlorination and vitrification including phase identification and quantification, elemental distributions, and chemical durabilities. The chemical durability in the CCC-cooled samples are lower durability than quenched materials for the ERV2 samples. The phases formed upon CCC cooling are very complex compositionally and microstructurally.

iron phosphate glass, iron phosphate waste forms, ↗
NASA NTRS1988

Gaseous environment of the Shuttle early in the Spacelab 2 mission

A cold-cathode ionization gage was flown on Space Shuttle flight STS-5IF as part of the Spacelab 2 payload. Neutral pressure data that were taken in the payload bay during the first few hours on orbit are presented. These data show that when the payload bay is oriented such that the atmospheric gases are ramming into it, the pressure rises to a peak of 4 x 10 to the -6th Torr. Pressure is also slightly higher during the sunlit portion of each orbit. Outgassing of the payload bay causes the pressure to be elevated to a few times 10 to the -6th Torr early in the mission. In addition, several effects on pressure have been identified that are due to chemical releases. Substantial increases (50-150 percent) are seen during another experiment's gas purge. Orbiter chemical-release effects include: pressure increases of 200 percent up to 7 x 10 to the -6th Torr due to Orbital Maneuvering System burns, minor perturbations in pressure due to vernier thruster firings and little or no increase in pressure due to water dumps. In the case of vernier thruster firings, effects are seen only from down-firing thrusters in the back of the Orbiter, which are probably due to reflection of thruster gases off Orbiter surfaces.

Pickett, Jolene S.↗