Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Physicochemical conditions”

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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Experimental and Theoretical Thermokinetic Analysis of the Na 3 VO 4 –CO 2 Reaction System under Different Physicochemical Conditions

Sodium vanadate (Na 3 VO 4 ) was synthesized, structural and microstructurally characterized as well as tested as possible carbon dioxide (CO 2 ) captor through thermodynamic calculations in addition to thermogravimetric dynamic and isothermal analyses. Ceramic structural characterization evidenced the formation of the Na 3 VO 4 crystal phase, while microstructural features evidenced dense agglomerates with a poor specific surface area, although synthesis temperature (600 °C) was not as high as that for other sodium ceramics. Na 3 VO 4 was investigated for the CO 2 capture process through dynamic and isothermal experiments, in the presence or absence of oxygen. All these experiments showed that Na 3 VO 4 possesses interesting CO 2 capture properties in a specific temperature range (520 and 600 °C). Isothermal products characterization allowed to elucidate the reaction pathway, implying the Na 4 V 2 O 7 formation, as possible reactive intermediate. In fact, reaction path evolution was supported with theoretical thermodynamic data. Moreover, the kinetic analysis, performed using the Avrami-Erofeev mathematical model and subsequent thermodynamic data obtention, probed the positive influence of the temperature, in both CO 2 superficial and bulk chemical sorption processes, while oxygen addition did not enhance the superficial process. Additionally, as it would be expected, kinetics were enhanced as a function of the CO 2 concentration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Life's Requirements

Life on Earth is molecular in nature, with its lifelike attributes- e.g., information processing and catalysis- emerging as a result of both the specific properties of those molecules and the interactions among them. If this is a general model for life, then life must require (i) a source of energy, with which to build and sustain molecular complexity and information processing; (ii) elemental raw materials, from which to construct molecules having specific properties and reactivity; (iii)a solvent that supports the synthesis of the full range of molecules required by life and properly mediates the full range of necessary interactions among those molecules; and (iv) physicochemical conditions in which life's molecules can be synthesized, are appropriately stable, and can interact as needed for lifelike function. For life on Earth, these general requirements, respectively, take the specific form: (i) light energy in visible-to-near-infrared wavelengths or chemical energy as provided by oxidation–reduction disequilibrium, (ii) the "biogenic "elements (carbon, hydrogen, oxygen, nitrogen, phosphorus, and sulfur) (iii)liquid water, and (iv) specific ranges in temperature, pH, salinity, pressure, and other environmental factors. Our knowledge of these factors relates to cellula rlife as we observe it now or can infer from the fossil or molecular records. Life's origin may be constrained by a more stringent set of requirements that are, as yet,not fully understood.

Habitability↗
NASA NTRS1982

Solidification of hypermonotectic Al-In alloys under microgravity conditions

Four samples of the Al-In system having monotectic and hypermonotectic compositions that were solidified under microgravity during the NASA-SPAR IX flight of January 20, 1981, are considered. The experimental thermal and physicochemical conditions that were actually achieved are analyzed. Radiographic and metallographic observations of the samples reveal a nonregular dispersed primary phase inside the monotectic matrix. These observations are discussed in relation to capillarity and solidification aspects. A key finding is the preservation of a certain degree of dispersion of the indium primary phase. This result differs fundamentally from the results obtained under microgravity conditions on the same system and compositions (Gelles and Markworth, 1980; Alborn and Loehberg, 1979). The results are seen as clearly establishing that the space environment can be used to obtain dispersed structures from hypermonotectic alloys.

Potard, C.↗
DOE OSTI2025

Metasomatic Alteration of Type 3 Ordinary and Carbonaceous Chondrites

Metasomatism refers to the process during which a pre-existing rock undergoes compositional and mineralogical transformations associated with chemical reactions triggered by the reaction of fluids which invade the protolith. It changes chemical compositions of minerals, promotes their dissolution and precipitation of new minerals. In this paper, we review metasomatic alteration of type 3 ordinary (H, L, LL) and carbonaceous (CV, CO, CK) chondrites, including (i) secondary mineralization, (ii) physicochemical conditions, (iii) chronology ( 53 Mn- 53 Cr, 26 Al- 26 Mg, 129 I- 129 Xe) of metasomatic alteration, (iv) records of metasomatic alteration in H, O, N, C, S, and Cl isotopic systematics, (v) effects of metasomatic alteration on O- and Al-Mg-isotope systematics of primary minerals in chondrules and refractory inclusions, and (vi) sources of water ices in metasomatically altered CV, CO, and ordinary chondrites, and outline future studies.

129I-129Xe chronology↗
DOE OSTI2026

A Catabolic Powerhouse for Biorefineries: Characterization and Engineering Erwinia spp. Strain LJJL01 to Produce Bioproducts

Nonmodel microbial hosts can efficiently biotransform unconventional organic feedstocks into advanced bioproducts, leveraging their superior metabolic capabilities and resilience to process-relevant physicochemical conditions. In this study, we domesticated Erwinia spp. strain. LJJL01 (Er LJJL01) as a potent microbial chassis to advance the emerging biorefinery strategy for the valorization of lignin-rich biomass and plastic, thereby enabling the circular economy. The strain exhibits remarkable chemical tolerance and can biofunnel various substrates, including sugars, acids, polyols, and aromatics, in minimal salt media to produce native fine chemicals such as acetoin, 2,3-butanediol, and lactic acid. As a proof of concept, engineering this strain with advanced genetic tools enables the production of tailored high-value chemicals, such as cis,cis-muconate from plastic-derived terephthalate and polyhydroxybutyrate from lignocellulosic hydrolysate. We established Er LJJL01 as a potent microbial chassis for the green synthesis of bioproducts from unconventional organic feedstocks.

09 BIOMASS FUELS↗
DOE OSTI2026

Prediction and Experimental Verification of Electrolyte Solvation Structure from an OMol25-Trained Interatomic Potential

A molecular-level understanding of electrolyte solvation structure and ion–ion correlations is critical to developing next-generation battery chemistries. Atomistic simulation capabilities with sufficient accuracy, speed, and transferability to deliver reliable structural insights while avoiding arduous system-specific reparameterization are thus highly desirable. Machine learning interatomic potentials (MLIPs) trained on large, chemically diverse data sets are revolutionizing computational chemistry, enabling molecular dynamics simulations of battery electrolytes with near-DFT accuracy over 10,000× faster than DFT. While previous MLIP training data sets with suitable elemental coverage for electrolytes have been based on inorganic materials, the Open Molecules 2025 (OMol25) data set provides large-scale molecular DFT MLIP training data with broad elemental coverage and specifically samples tens of millions of electrolyte configurations. Here, we integrate computational modeling with experimental validation to systematically assess the ability of large-scale MLIPs pretrained on materials data or on OMol25 to accurately resolve nanoscale structural organization and ion-solvation characteristics in Na-ion battery electrolytes across diverse physicochemical conditions and compositional regimes. We find that the OMol25-trained Universal Model of Atoms (UMA-OMol) predicts experimentally measured densities and X-ray structure factors in substantially better agreement compared to state-of-the-art models trained only on inorganic materials data. Using UMA-OMol, we further analyze systematic trends in solvation structure as a function of cation identity, anion chemistry, salt concentration, and solvent topology. We observe that increasing system temperature amplifies the heterogeneity within the solvation environment, perturbing cation–solvent interactions and promoting the formation of contact ion pairs (CIPs). Moreover, subtle variations in the solvent topology of glyme-based electrolytes cause pronounced changes in ion correlations and solvation structure. The experimental agreement and microscopic insights shown here position OMol25-trained MLIPs as a practical route to predictive, high-throughput electrolyte simulations beyond the limits of classical force fields and direct DFT molecular dynamics, serving as a powerful tool for accelerating the design of next-generation Na-ion battery electrolytes and beyond.

MLIPs↗
DOE OSTI2025

Tetranucleotide frequencies differentiate genomic boundaries and metabolic strategies across environmental microbiomes

Microbiomes are constrained by physicochemical conditions, nutrient regimes, and community interactions across diverse environments, yet genomic signatures of this adaptation remain unclear. Metagenome sequencing is a powerful technique to analyze genomic content in the context of natural environments, establishing concepts of microbial ecological trends. Here, we developed a data discovery tool-a tetranucleotide-informed metagenome stability diagram-that is publicly available in the integrated microbial genomes and microbiomes (IMG/M) platform for metagenome ecosystem analyses. We analyzed the tetranucleotide frequencies from quality-filtered and unassembled sequence data of over 12,000 metagenomes to assess ecosystem-specific microbial community composition and function. We found that tetranucleotide frequencies can differentiate communities across various natural environments and that specific functional and metabolic trends can be observed in this structuring. Our tool places metagenomes sampled from diverse environments into clusters and along gradients of tetranucleotide frequency similarity, suggesting microbiome community compositions specific to gradient conditions. Within the resulting metagenome clusters, we identify protein-coding gene identifiers that are most differentiated between ecosystem classifications. We plan for annual updates to the metagenome stability diagram in IMG/M with new data, allowing for refinement of the ecosystem classifications delineated here. This framework has the potential to inform future studies on microbiome engineering, bioremediation, and the prediction of microbial community responses to environmental change. IMPORTANCE: Microbes adapt to diverse environments influenced by factors like temperature, acidity, and nutrient availability. We developed a new tool to analyze and visualize the genetic makeup of over 12,000 microbial communities, revealing patterns linked to specific functions and metabolic processes. This tool groups similar microbial communities and identifies characteristic genes within environments. By continually updating this tool, we aim to advance our understanding of microbial ecology, enabling applications like microbial engineering, bioremediation, and predicting responses to environmental change.

Kellom, Matthew↗
NASA NTRS1977

Lithic clasts in the Supuhee chondrite

Bulk chemical analyses of three foreign lithic clasts from Supuhee, a shocked and brecciated H6 chondrite, were carried out in an attempt to locate 'mysterite', a volatile-rich material postulated to be present. Clast 1 bears some similarities to C1 and C2 chondrites, but its relatively low (less than 9.4%) volatile content suggests a different set of physicochemical conditions during low-temperature condensation. Clast 2 was apparently derived from H-group chondrite material by loss of metal and sulfide. Clast 3 is an unusual meteorite type whose chemical composition is reminiscent of the unique chondrite Kakangari (Graham, et al., 1977). These chemically distinct bodies were apparently not present during the metamorphic event which affected Supuhee. Although the presence of mysterite was not confirmed or refuted, the present results indicate that conditions were favorable for the formation, incorporation and preservation of volatile-rich materials.

Leitch, C. A.↗
NASA NTRS1985

Defect Chemistry of Hg1-xCdxTe

Intermediate goal of this investigation to correlate nature and concentration of lattice defects with physicochemical conditions of preparation; namely, temperature, partial pressures of constituent elements and/or dopant concentration. Result of this investigation: possible to predict and control nature and concentration of defects as function of preparation conditions.

Vydyanath, H.↗
NASA NTRS1994

CM chondrites exhibit the complete petrologic range from type 2 to 1

Recognition and characterization of the different CM lithologies as components in all meteorites could reveal details of the nature and chronology of alteration and brecciation events on hydrous asteroids. The CM chondrites are of particular interest, as they are the most common carbonaceous chondrites and are found as clasts within other types of meteorites, which suggests that the CM parent asteroids are (or were) widespread in the sections of the asteroid belt providing samples to Earth. Some CM2s, including EET 90047, ALH 83100, and Y 82042, are more 'extensively' altered, and are distinguished by a high proportion of Mg-rich phyllosilicates and Ca-Mg carbonates, frequently in rounded aggregates, and near absence of olivine or pyroxene. 'Completely' altered CMs, called CM1s, essentially lack olivine or pyroxene; these include EET 83334, ALH 88045, and the CM1 clasts in Kaidun. Cold Bokkeveld and EET 84034, both highly brecciated CMs, consist of both extensively and completely altered lithologies. We describe how these lithologies further cosntrain physicochemical conditions on hydrous asteroids. We conclude that CM chondrites exhibit the petrologic range 2 through 1, and that progressive alteration on the parent hydrous asteroid(s) was accompanied by significant increases in temperature (to a peak of approximately 450 C), fO2, water-rock ratio, and (locally) degree of chemical leaching, all well beyond the conditions recorded by CM2s.

Zolensky, M. E.↗
NASA NTRS2000

Visible Wavelength Spectroscopy of Ferric Minerals: A Key Tool for Identification of Ancient Martian Aqueous Environments

The mineralogic signatures of past aqueous alteration of a basaltic Martian crust may include iron oxides and oxyhydroxides, zeolites, carbonates, phyllosilicates, and silica. The identities, relative abundances, and crystallinities of the phases formed in a particular environment depend on physicochemical conditions. At one extreme, hot spring environments may be characterized by smectite-chlorite to talc-kaolinite silicate assemblages, plus crystalline ferric oxides dominated by hematite. However, most environments, including cold springs, pedogenic layers, and ponded surface water, are expected to deposit iron oxides and oxyhydroxides, carbonates, and smectite-dominated phyllosilicates. A substantial fraction of the ferric iron is expected to occur in nanophase form, with the exact mineralogy strongly influenced by Eh-pH conditions. Detection of these phases has been an objective of a large body of terrestrial telescopic, Mars orbital, and landed spectral investigations and in situ compositional measurements. However, clear identifications of many of these phases is lacking. Neither carbonate nor silica has been unequivocally detected by any method. Although phyllosilicates may occur near the limit of detection by remote sensing, in general they appear to occur in only poorly crystalline form. In contrast, compelling evidence for ferric iron minerals has been gathered by recent telescopic investigations, the Imager for Mars Pathfinder (IMP), and the Thermal Emission Spectrometer (TES) on the Mars Global Surveyor (MGS). These data yield two crucial findings: (1) In the global, high spatial resolution TES data set, highly crystalline ferric iron (as coarse-grained 'gray' hematite) has been recognized but with only very limited spatial occurrence and (2) Low-resolution telescopic reflectance spectroscopy, very limited orbital reflectance spectroscopy, and landed multispectral imaging provide strong indications that at least two broad classes of ferric iron minerals are commonplace in non-dust covered regions.

Murchie, Scott L.↗
NASA NTRS2005

Lunar and Planetary Science XXXVI, Part 22

The Lunar and Planetary Science XXXVI, Part 22 is presented. The topics include: 1) Pressure Histories from Thin and Thick Shock-induced Melt Veins in Meteorites; 2) Nano-structured Minerals as Signature of Microbial Activity; 3) The Insoluble Carbonaceous Material of CM Chondrites as Possible Source of Discrete Organics During the Asteroidal Aqueous Phase; 4) Discovery of Abundant Presolar Silicates in Subgroups of Antarctic Micrometeorites; 5) Characteristics of a Seismometer for the LUNAR-A Penetrator; 6) Heating Experiments of the HaH 262 Eucrite and Implication for the Metamorphic History of Highly Metamorphosed Eucrites; 7) Measurements of Ejecta Velocity Distribution by a High-Speed Video Camera; 8) Petrological Comparison of Mongolian Jalanash Ureilite and Twelve Antarctic Ureilites; 9) Metallographic Cooling Rate of IVA Irons Revisited; 10) Inhomogeneous Temperature Distribution in Chondrules in Shock-Wave Heating Model; 11) Subsurface Weathering of Rocks and Soils at Gusev Crater; 12) Extinct Radioactivities in the Early Solar System and the Mean Age of the Galaxy; 13) Correlation of Rock Spectra with Quantitative Morphologic Indices: Evidence for a Single Rock Type at the Mars Pathfinder Landing Site; 14) Silicon Isotopic Ratios of Presolar Grains from Supernovae; 15) Current Status and Readiness on In-Situ Exploration of Asteroid Surface by MINERVA Rover in Hayabusa Mission; 16) Long Formation Period of Single CAI: Combination of O and Mg Isotope Distribution; 17) Supra-Canonical Initial 26Al/27Al Indicate a 105 Year Residence Time for CAIs in the Solar Proto-Planetary Disk; 18) Evolution of Mercury's Obliquity; 19) First Results from the Huygens Surface Science Package; 20) Polyhedral Serpentine Grains in CM Chondrites; 21) Mountainous Units in the Martian Gusev Highland Region: Volcanic, Tectonic, or Impact Related? 22) Petrography of Lunar Meteorite MET 01210, A New Basaltic Regolith Breccia; 23) Earth-Moon Impacts at ~300 Ma and ~500 Ma Ago; 24) Chemical and Isotopic Analyses of Apollo 16 Glasses: An Integrated Approach; 25) Measuring the Surfaces on Mars; 26) Melting in Martian Snowbanks; 27) The Effect of Ni on Fe-FeS Phase Relations: Implications for the Chemistry of the Martian Core; 28) Shorelines in the Western United States as Analogs for Hypothesized Shoreline Features on Mars; 29) Al and Ti Isotopic Ratios of Presolar SiC Grains of Type Z; 30) Physicochemical Conditions of Clinopyroxene Crystallization in the Parental Bodies of Ordinary Chondrites; 31) Metamorphosed CM and CI Carbonaceous Chondrites Could be from the Breakup of the Same Earth-crossing Asteroid; 32) Aqueous Alteration and Hydrogen Generation on Parent Bodies of Unequilibrated Ordinary Chondrites: Thermodynamic Modeling for the Semarkona Composition; and 33) Preliminary Analysis of Relative Abundances of Hydrothermal Alteration Products in the C1-N10, Y6-N19, and Yax-1_863.51 Impact Melt Samples, Chicxulub Structure, Mexico

Source record↗
NASA NTRS2006

Laboratory Studies on the Formation of Carbon-Bearing Molecules in Extraterrestrial Environments: From the Gas Phase to the Solid State

A detailed knowledge of the formation of carbon-bearing molecules in interstellar ices and in the gas phase of the interstellar medium is of paramount interest to understand the astrochemical evolution of extraterrestrial environments (1). This research also holds strong implications to comprehend the chemical processing of Solar System environments such as icy planets and their moons together with the atmospheres of planets and their satellites (2). Since the present composition of each interstellar and Solar System environment reflects the matter from which it was formed and the processes which have changed the chemical nature since the origin (solar wind, planetary magnetospheres, cosmic ray exposure, photolysis, chemical reactions), a detailed investigation of the physicochemical mechanisms altering the pristine environment is of paramount importance to grasp the contemporary composition. Once these underlying processes have been unraveled, we can identify those molecules, which belonged to the nascent setting, distinguish molecular species synthesized in a later stage, and predict the imminent chemical evolution of, for instance, molecular clouds. Laboratory experiments under controlled physicochemical conditions (temperature, pressure, chemical composition, high energy components) present ideal tools for simulating the chemical evolution of interstellar and Solar System environments. Here, laboratory experiments can predict where and how (reaction mechanisms; chemicals necessary) in extraterrestrial environments and in the interstellar medium complex, carbon bearing molecules can be formed on interstellar grains and in the gas phase. This paper overviews the experimental setups utilized in our laboratory to mimic the chemical processing of gas phase and solid state (ices) environments. These are a crossed molecular beams machine (3) and a surface scattering setup (4). We also present typical results of each setup (formation of amino acids, aldehydes, epoxides; synthesis of hydrogen terminated carbon chains as precursors to complex PAHs and to carbonaceous dust grains in general; nitriles as precursor to amino acids).

Jamieson, C. S.↗
NASA NTRS2003

Process for Encapsulating Protein Crystals

A process for growing protein crystals encapsulated within membranes has been invented. This process begins with the encapsulation of a nearly saturated aqueous protein solution inside semipermeable membranes to form microcapsules. The encapsulation is effected by use of special formulations of a dissolved protein and a surfactant in an aqueous first liquid phase, which is placed into contact with a second, immiscible liquid phase that contains one or more polymers that are insoluble in the first phase. The second phase becomes formed into the semipermeable membranes that surround microglobules of the first phase, thereby forming the microcapsules. Once formed, the microcapsules are then dehydrated osmotically by exposure to a concentrated salt or polymer solution. The dehydration forms supersaturated solutions inside the microcapsules, thereby enabling nucleation and growth of protein crystals inside the microcapsules. By suitable formulation of the polymer or salt solution and of other physical and chemical parameters, one can control the rate of transport of water out of the microcapsules through the membranes and thereby create physicochemical conditions that favor the growth, within each microcapsule, of one or a few large crystals suitable for analysis by x-ray diffraction. The membrane polymer can be formulated to consist of low-molecular-weight molecules that do not interfere with the x-ray diffraction analysis of the encapsulated crystals. During dehydration, an electrostatic field can be applied to exert additional control over the rate of dehydration. This protein-crystal-encapsulation process is expected to constitute the basis of protein-growth experiments to be performed on the space shuttle and the International Space Station. As envisioned, the experiments would involve the exposure of immiscible liquids to each other in sequences of steps under microgravitational conditions. The experiments are expected to contribute to knowledge of the precise conditions under which protein crystals form. By enhancing the ability to grow crystals suitable for x-ray diffraction analysis, this knowledge can be expected to benefit not only the space program but also medicine and the pharmaceutical industry.

Morrison, Dennis R.↗
NASA NTRS2023

Salt Distribution from Freezing Intrusions in Ice Shells on Ocean Worlds: Application to Europa

Several icy moons and dwarf planets appear to have hosted subsurface liquid water. Liquid water intruding upwards into the icy outer shells of these worlds freezes, forming ice and (from ocean solutes) non-ice solids. Here, we model concentrated aqueous solutions below 273 K to simulate the compositional evolution of freezing spherical intrusions. Starting solutions are based on five previously reported compositional end members for Europa's ocean. For moderate-pH end members dominated by chloride, sulfate, and/or carbonate, the solids formed include Ca-, Mg-, and Na-sulfates and -carbonates, as well as Na- and K-chlorides. For silica-rich, high-pH end members, abundant amorphous silica forms with, potentially, similarly abundant NaOH and KOH. We further develop a new numerical model to compute the spatial distribution of the formed solids and residual brine as freezing progresses. If non-ice solids settle to the bottom, their deposits tend to have stacked hourglass shapes, widening each time the crystallization temperature of a new solid is reached. We discuss the applicability of this model to vertical fractures and global freezing of a subsurface ocean. These results inform (i) how compositional heterogeneities may affect the thermophysical properties of ice shells, which in turn influence convective and cryovolcanic transport, (ii) the compatibility of brine pockets with physicochemical conditions suitable for microbial life, and (iii) possible measurements of compositional heterogeneities within ice shells by spacecraft such as NASA's Europa Clipper and ESA's JUICE missions. The methodology developed here is applicable to other ice-covered ocean worlds.

Planetary structure↗
NASA NTRS1975

Air regenerating and conditioning

Various physicochemical methods of regenerating and conditioning air for spacecraft are described with emphasis on conditions which affect efficiency of the system. Life support systems used in closed, hermetically sealed environments are discussed with references to actual application in the Soviet Soyuz and Voskhod manned spacecraft. Temperature and humidity control, removal of carbon dioxide, oxygen regeneration, and removal of bacteria and viruses are among the factors considered.

Grishayenkov, B. G.↗
DOE OSTI2025

Cobalt promotion of the InO x –TiO 2 heterojunction for dual photothermal reduction of CO 2

A series of cobalt-promoted indium–titanium composite oxides was synthesized using a microemulsion method. Their functional properties were investigated for the photothermal reduction of carbon dioxide. In this series, the indium content varied between 2.5 and 20%, while the cobalt percentage was kept constant at 4% throughout the series. In all cases, carbon monoxide formation occurred selectively through the reverse water gas shift reaction. The sample with 2.5% In maximized the synergistic use of the two energy sources, while the sample with 10% In showed the highest catalytic activity under both thermal and dual photo-thermo conditions. A physicochemical characterization was performed for all samples. The use of microscopy and X-ray absorption spectroscopy demonstrated that sub-nanometric indium entities, in combination with atomically dispersed cobalt oxide entities, achieved a balance between high thermal activity and significant synergy between light and heat in a catalytic process. The system with 10% indium is thus able to improve the thermal catalytic process through the use of light, providing an intensification procedure for the classic process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗