Search NASA⌕ Search

SEARCH · Search NASA

Results for “Catalytic Upgrading”

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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Performance of Flight Compatible Microlith® Catalytic Oxidizer for Exploration Trace Contaminant Control

Precision Combustion, Inc. (PCI) and NASA Marshall Space Flight Center have been developing, characterizing, and optimizing prototype high temperature catalytic oxidizers based on PCI’s patented Microlith® technology and long-term endurance test data to meet the requirements of future spaceflight exploration missions. Based on the demonstrated performance (20,000+ hours) of a subscale prototype, a next-generation prototype was designed to meet exploration contaminant load control demands while upgrading the prototype form and fit to match flight-compatible interfaces. Prototype design considerations intended to minimize power consumption, impacting process thermal and hydraulic performance, are discussed herein. We also report on performance characteristics of the catalytic oxidizer and future efforts for component packaging and light-weighting.

Trace Contaminants↗
DOE OSTI2026

Advancing technologies for lignin-based jet fuel production in aqueous phase

Integrating lignin into a cellulosic ethanol plant for the co-production of lignin-based jet fuel (LJF) in aqueous phase offers a significant opportunity to boost operational efficiency, economic viability, carbon conversion, and the overall sustainability of biofuel and chemical production. LJF is lignin-structure-based jet fuel blendstocks primarily composed of alkyl-substituted mono-, bi-, and tri-cyclohexanes. It exhibits high energy density, potential for low emissions, and favourable blend characteristics that comply with drop-in specifications. An overview of lignin feedstock, catalytic processes, LJF chemical compositions, fuel properties tests, and techno-economic analysis (TEA) and life cycle assessment (LCA) indicate that (1) the reactivity of lignin plays a crucial role in its structure transformation to LJF molecules; (2) catalytic processing of lignin to LJF can occur through a simultaneous depolymerization and hydrodeoxygenation process, bypassing the intermediate step of producing and upgrading lignin-derived oil; (3) LJF's uniqueness molecules making it more promising for high energy content and low emission jet fuel properties for next generation sustainable aviation fuel (SAF); and (4) TEA and LCA demonstrate that LJF is not only potentially cost-effective but also offers favourable carbon footprint compared to other SAFs. In conclusion, this review highlights the most recent advancements in LJF technology, along with the challenges and opportunities that lie ahead in fulfilling its potential.

09 BIOMASS FUELS↗
DOE OSTI2024

Co-Processing Fast Pyrolysis Bio-Oils and Hydrothermal Liquefaction Biocrudes in Fluid Catalytic Cracking and Hydroprocessing in Refineries

Co-processing of biogenic feedstocks within the existing petroleum infrastructure represents an opportunity to incorporate large volumes of bio-carbon into transportation fuels. However, upgrading intermediate liquids from biomass and waste to final products efficiently and economically, while minimizing impacts to existing refinery infrastructure, remains a notable barrier to commercialization. The co-processing project, Bio-oil Co-processing with Refinery Streams, aimed to generate foundational knowledge for processing renewable intermediates in petroleum refineries and offer co-processing strategies, as well as develop new methods for biogenic carbon tracking and measurement.

bio-oil↗
NASA NTRS1982

Literature survey of properties of synfuels derived from coal

A literature survey of the properties of synfuels for ground-based turbine applications is presented. The four major concepts for converting coal into liquid fuels (solvent extraction, catalytic liquefaction, pyrolysis, and indirect liquefaction), and the most important concepts for coal gasification (fixed bed, fluidized bed, entrained flow, and underground gasification) are described. Upgrading processes for coal derived liquid fuels are also described. Data presented for liquid fuels derived from various processes, including H-coal, synthoil, solvent refined coal, COED, donor solvent, zinc chloride hydrocracking, co-steam, and flash pyrolysis. Typical composition, and property data is also presented for low and medium-BTU gases derived from the various coal gasification processes.

Flores, F.↗
DOE OSTI2026

Decoupling plasma, catalyst, and gaseous mechanisms for non-oxidative methane conversion

Direct non-oxidative methane (CH 4 ) conversion to value-added hydrogen (H 2 ) and C 2 products remains hindered by fundamental catalytic scaling constraints and rapid surface deactivation at elevated temperatures. Plasma-enabled catalysis offers a promising route to overcome the thermodynamic and kinetic barriers of direct non-oxidative methane upgrading at mild conditions, yet control over C–C product selectivity and catalyst stability remains elusive. Here, we establish a unified mechanistic framework including Langmuir–Hinshelwood (L–H) and Langmuir–Rideal (L–R) mechanisms that disentangles the roles of plasma excitation (including vibrationally activated species and radicals), surface temperature (T sur ), and catalyst binding energy in steering CH 4 conversion to H 2 and C 2 hydrocarbons. Through a combination of density functional theory (DFT) informed microkinetic modeling, in situ and ex situ surface characterization, and product quantification under dielectric barrier discharge conditions, we show that vibrationally excited CH 4 lowers activation barriers selectively for dissociative chemisorption, enabling surface activation across a wide range of transition metal catalysts at low thermal energy input. We find that once CH 4 is dissociatively chemisorbed, the branching between C 2 H 2 , C 2 H 4 , and C 2 H 6 is governed by surface properties (carbon binding energy, T sur , etc), regardless of plasma excitation. The DFT informed microkinetic model decouples the effects of molecular activation from surface properties and indentifies operating windows that maximize target yields while suppressing carbon accumulation and subsequent catalytic inactivation. Experiments on polycrystalline Cu/Al 2 O 3 , Ni/Al 2 O 3 , and Pt/Al 2 O 3 validate these predictions, revealing catalyst-dependent branching toward ethane or ethylene and distinct deactivation profiles. We unify these trends into a generalized three-dimensional plasma-thermal-catalytic design space, from which reduced descriptors such as T vib /T sur in the limit of vibrationally excited L–H pathways emerge as predictive metrics. These results enable rational tuning of methane conversion pathways and unlock selective C 2 formation using earth-abundant metals under mild plasma conditions.

catalyst inactivation↗
NASA NTRS2017

Upgrades to the International Space Station Water Recovery System

The International Space Station (ISS) Water Recovery System (WRS) includes the Water Processor Assembly (WPA) and the Urine Processor Assembly (UPA). The WRS produces potable water from a combination of crew urine (first processed through the UPA), crew latent, and Sabatier product water. Though the WRS has performed well since operations began in November 2008, several modifications have been identified to improve the overall system performance. These modifications aim to reduce resupply and improve overall system reliability, which is beneficial for the ongoing ISS mission as well as for future NASA manned missions. The following paper details efforts to improve the WPA through the use of reverse osmosis membrane technology to reduce the resupply mass of the WPA Multi-filtration Bed and improved catalyst for the WPA Catalytic Reactor to reduce the operational temperature and pressure. For the UPA, this paper discusses progress on various concepts for improving the reliability of the system, including the implementation of a more reliable drive belt, improved methods for managing condensate in the stationary bowl of the Distillation Assembly, and evaluating upgrades to the UPA vacuum pump.

Kayatin, Matthew J.↗
NASA NTRS2017

Upgrades to the ISS Water Recovery System

The ISS Water Recovery System (WRS) includes the Water Processor Assembly (WPA) and the Urine Processor Assembly (UPA). The WRS produces potable water from a combination of crew urine (first processed through the UPA), crew latent, and Sabatier product water. Though the WRS has performed well since operations began in November 2008, several modifications have been identified to improve the overall system performance. These modifications can reduce resupply and improve overall system reliability, which is beneficial for the ongoing ISS mission as well as for future NASA manned missions. The following paper details efforts to improve the WPA through the use of Reverse Osmosis technology to reduce the resupply mass of the WPA Multifiltration Bed and improved catalyst for the WPA Catalytic Reactor to reduce the operational temperature and pressure. For the UPA, this paper discusses progress on various concepts for improving the reliability of the UPA, including the implementation of a more reliable drive belt, improved methods for managing condensate in the stationary bowl of the Distillation Assembly, deleting the Separator Plumbing Assembly, and evaluating upgrades to the UPA vacuum pump.

Kayatin, Matthew↗
DOE OSTI2025

MgO Nanostructures on Au(111) as Catalysts for Low-Temperature Methane Activation and C-C Coupling

The selective conversion of methane (CH4) under mild conditions remains challenging due to strong C-H bonds and catalyst coking. We systematically investigated sub-monolayer MgO nanostructures on Au(111), where two-dimensional (2D) MgO islands with stable Mg-O-Au interfaces catalyze low-temperature CH4 activation and C-C coupling. Upon CH4 exposure at 300 K, surface-bound CHx and C2Hx intermediates formed and persisted post-evacuation, indicating robust CHx-O-Mg linkages. Temperature-programmed studies revealed that C-H activation and C-C coupling intensify with heat: the CHx signal grew continuously while the C2Hx signal reached a plateau at 400-500 K. O 1s and Mg 2p attenuation confirmed adsorption of the hydrocarbons on MgO. Catalytic tests at 500 K yielded C2H6 (70%) and C2H4 (30%) without coking, underscoring MgO's role as an active catalyst. These results offer new design principles for developing coke-resistant and low-temperature methane upgrading catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Development of a Microlith® Catalytic Oxidizer for Exploration Trace Contaminant Control

The state-of-the-art in long mission duration spacecraft trace contaminant control processes rely on high-temperature catalytic oxidation for light contaminant removal. Target compounds for oxidation include metabolic methane, carbon monoxide, and low molecular weight volatile organics such as formaldehyde and methanol. Precision Combustion, Inc. and NASA Marshall Space Flight Center have been developing and testing prototype high temperature catalytic oxidizers based on PCI’s patented Microlith® technology to meet the requirements of future spaceflight exploration missions. To this end, our latest generation Microlith oxidizer, featuring an integrated heat recuperator, was subjected to endurance testing to simulate catalyst ageing over a Mars transit mission duration. Periodic reactor health testing indicates our approach results in a robust contaminant control solution for exploration missions beyond low earth orbit. Based on the demonstrated performance of this unit, a next-generation prototype was designed to meet exploration contaminant load control demands while upgrading the prototype form and fit to match flight-compatible interfaces. Prototype design considerations intended to reduce power consumption, impacting process thermal and hydraulic performance, are discussed herein.

Trace Contaminant Control↗
NASA NTRS2017

Challenges with Operating a Water Recovery System (WRS) in the Microgravity Environment of the International Space Station (ISS)

The ISS WRS produces potable water from crew urine, crew latent, and Sabatier product water. This system has been operational on ISS since November 2008, producing over 30,000 L of water during that time. The WRS includes a Urine Processor Assembly (UPA) to produce a distillate from the crew urine. This distillate is combined with the crew latent and Sabatier product water and further processed by the Water Processor Assembly (WPA) to the potable water. The UPA and WPA use technologies commonly used on ISS for water purification, including filtration, distillation, adsorption, ion exchange, and catalytic oxidation. The primary challenge with the design and operation of the WRS has been with implementing these technologies in microgravity. The absence of gravity has created unique issues that impact the constituency of the waste streams, alter two-phase fluid dynamics, and increases the impact of particulates on system performance. NASA personnel continue to pursue upgrades to the existing design to improve reliability while also addressing their viability for missions beyond ISS.

Carter, Donald Layne↗
DOE OSTI2026

Electrocatalytic Hydrotreatment of Bio-Oil: Exploring Interactions Between Functional Groups

Electrocatalytic hydrotreatment (ECH) is being explored as a sustainable route for upgrading bio-oil to renewable fuels and chemicals. Bio-oil, produced by the fast pyrolysis of lignocellulosic biomass, is a complex mixture of compounds with various oxygen-containing functional groups, such as anhydrosugars, carboxylic acids, ketones, aldehydes, furans, phenols and alcohols. The ECH of several bio-oil model compound binary mixtures was conducted to investigate the interactions between these functional groups. Notably, phenolic compound reduction was significantly inhibited in the presence of aldehydes, particularly furfural. A strategy involving the reagent-based reduction of the aldehyde to an alcohol prior to ECH was shown to partially mitigate this inhibitory effect. Additionally, qualitative studies on the ECH of catalytic fast pyrolysis (CFP) oil with low aldehyde content showed promising results. These studies achieved the conversion of cyclopentenones and phenolic compounds present in the CFP oil to cyclopentanols and cyclohexanols, respectively.

09 BIOMASS FUELS↗
DOE OSTI2024

Ethanol Upgrading with N,N,N -Pincer-Based Ru Catalysts: Delineating Key Factors Governing Catalyst Evolution and Stability

The 5-CH 3 -bpi (bpi = 1,3-bis(2'-pyridylimino)isoindolate) ruthenium catalyst is among the most active catalysts to generate higher order alcohols from ethanol, via the Guerbet reaction, yet the reason(s) for this beneficial CH 3 -subsitution position (5- relative to 4- and 6-) were not known. To understand the influence of this unique positional activity, we report a mechanistic investigation of the N,N,N-pincer Ru(bpi)(PPh 3 ) 2 Cl catalyst. In situ IR and ex situ NMR/ESI-MS analyses of catalytic reactions identified a series of Ru carbonyl species generated during catalysis. Here, we find that the primary decomposition pathway is via hydrogenolysis of the bpi ligands and that incorporating a methyl group at the 5-position disfavors this deactivation pathway.

(de)hydrogenation↗
DOE OSTI2025

Mechanistic Insights into Molecular Copper Hydride Catalysis: the Kinetic Stability of CuH Monomers toward Aggregation is a Critical Parameter for Catalyst Performance

The activity of molecular copper hydride (CuH) complexes towards the selective insertion of unsaturated hydrocarbons under mild conditions has contributed significantly to versatile methodologies for upgrading these feedstocks. However, these catalysts are particularly susceptible to deleterious aggregation, leading to the depletion of active CuH species. Little is known about the mechanisms of CuH aggregation, how it influences overall catalyst performance, and how it can be controlled. We address these challenges with mechanistic studies on a model reaction of unactivated alkene hydroboration catalyzed by (IPr*CPh 3 )CuH (LCuH). Here, we report a comprehensive mechanistic investigation of this system, identifying an aggregation pathway that continuously depletes catalytically active LCuH to form inactive CuH clusters during turnover. Deactivation of LCuH is controlled primarily by the competition between the kinetics of the initial LCuH dimerization step and that of alkene insertion. We therefore propose that a more comprehensive understanding of CuH catalyst performance must account for the kinetics of the initial LCuH dimerization step, revising a previously explored thermodynamic understanding of CuH aggregation, where the concentration of active species is controlled by equilibria established between CuH dimers and monomers. With a series of (NHC)CuH congeners (NHC = N-heterocyclic carbene), we demonstrate that ostensibly minor structural modifications to the ligand peripheries can drastically affect the LCuH dimerization kinetics, while maintaining reactivity towards on–cycle alkene insertion. We employed a computational approach based on molecular dynamics simulations to provide an in-depth understanding of how specific structural ligand modifications can substantially increase the kinetic stability of monomeric CuH catalysts. Our combined experimental and computational studies suggest strategies for rational ligand design that can be broadly applied to molecular catalyst systems that are susceptible to deactivation via aggregation pathways.

Ryan, David E. [Pacific Northwest National Laborat↗
NASA NTRS2016

Upgrades to the ISS Water Recovery System

The International Space Station Water Recovery System (WRS) is comprised of the Water Processor Assembly (WPA) and the Urine Processor Assembly (UPA). The WRS produces potable water from a combination of crew urine (first processed through the UPA), crew latent, and Sabatier product water. Though the WRS has performed well since operations began in November 2008, several modifications have been identified to improve the overall system performance. These modifications can reduce resupply and improve overall system reliability, which is beneficial for the ongoing ISS mission as well as for future NASA manned missions. The following paper details efforts to reduce the resupply mass of the WPA Multifiltration Bed, develop improved catalyst for the WPA Catalytic Reactor, evaluate optimum operation of UPA through parametric testing, and improve reliability of the UPA fluids pump and Distillation Assembly.

Kayatin, Matthew J.↗
DOE OSTI2026

Organo-catalyzed deamination of polystyrene sulfonamide for diverse post-polymerization modification of styrenic polymers

Post-polymerization modification allows for the incorporation of functional groups that would otherwise be incompatible with polymerization conditions, enhancing synthetic efficiency and facilitating the creation of complex polymer architectures for specialized applications, such as biomedical devices, electronics, and advanced coatings. Herein, we report a method inspired by late-stage functionalization of small molecules for the post-polymerization modification of aromatic polymers, specifically polystyrene (PS), under mild reaction conditions. First, PS was converted to polystyrene sulfonamide (PSSNH 2 ) with an 85% yield using established procedures. PSSNH 2 was subsequently transformed into a reactive sulfinate by deamination using an N-heterocyclic carbene (NHC) catalyst and benzaldehyde. The catalytic process was optimized by varying catalysts, solvents, bases, temperatures, and reaction times. The highest degree of deamination was 88% with a bicyclic NHC and K 2 CO 3 base in DMSO for 18 hours at 120 °C. The reactive sulfinate was then treated with various functional reagents, resulting in a library of aromatic polymers with different substituents with high degrees of functionalization ranging from 74% to 98%. Similarly, we modified expanded PS waste with trifluorobutyl iodide with a degree of functionalization of 72%, highlighting a new avenue for plastic upgrading. This approach could be used to rapidly generate functionalized polymers from PS with potential applications, including antibacterial properties and flame retardancy.

Shrestha, Tulaja [Univ. of Delaware, Newark, DE (U↗
DOE OSTI2025

Modular Processing of Flare Gas for Carbon Nanoproducts

This project demonstrated the technical viability and economic promise of a modular system for converting flared natural gas into valuable carbon nanoproducts (CNPs) through catalytic chemical vapor deposition (CVD). All major project milestones were successfully completed, including reactor design and commissioning, catalyst development, process optimization, technoeconomic analysis, and application testing in concrete systems. The overarching goal was to create a scalable, field-deployable process that valorizes stranded methane by producing high-value carbon materials for use in cementitious composites. At the lab scale, the team designed and built a fluidized bed reactor optimized for use with silica fume-supported nickel catalysts synthesized via atomic layer deposition (ALD). A statistically designed sintering study enabled precise tuning of nickel nanoparticle size, identifying the influence of oxygen partial pressure, time, and temperature on catalyst morphology and performance. These insights allowed the team to target catalyst conditions that maximize carbon nanofilament growth. Subsequent CVD experiments achieved up to 31.8 wt% carbon deposition under optimized conditions, with TEM confirming the presence of nanofilament structures and sustained hydrogen evolution during reaction. Reactor upgrades and empirical fluidization studies supported the development of reliable, repeatable experimental protocols. The modular pilot-scale skid reactor was fully constructed, instrumented, and commissioned. Capable of operating at 675–800°C and pressures up to 290 psig, the system was designed for continuous operation at a carbon production rate of 1 kg/hr. Initial demonstration runs confirmed solids handling, thermal control, and system leak-tightness, although a critical reactor component (the downfeed tube) was inadvertently omitted during final assembly. This omission limited gas–solid contact and prevented meaningful carbon deposition during pilot-scale CVD runs. Nonetheless, the system operated safely under design conditions, and the root cause of performance limitations was clearly identified. Complementary work on UHPC formulations demonstrated that small additions of carbon nanoproducts, including those derived from flare gas, can significantly enhance mechanical performance while preserving workability. A comprehensive study of CNF dispersion techniques and mix design optimization led to a clear protocol for integrating these nanomaterials into concrete. Incorporation of CNPs improved flexural toughness and reduced porosity, supporting their use in high-performance infrastructure applications. A technoeconomic analysis (TEA) confirmed that this process can produce CNP-loaded catalyst material at a levelized cost below $\$$7/kg across a range of catalyst loadings and reaction yields. With estimated market values for the carbon composite product ranging from $\$$14 to over $\$$60/kg, and the ability to blend CNPs into concrete at sub-percent levels with less than 10% added cost, the system presents a compelling economic case. While additional engineering work is needed to optimize fluidization and heat transfer at scale, this project establishes a strong foundation for commercial development. The process is not only technically sound but also economically promising, representing a viable pathway for flare gas mitigation through modular carbon nanomaterial production.

03 NATURAL GAS↗
DOE OSTI2025

Integrating catalytic fractionation and microbial funneling to produce 2-pyrone-4,6-dicarboxylic acid and ethanol

Replacing biorefinery designs that use stepwise fractionation, depolymerization, and conversion processes with designed tandem process steps can greatly reduce a biorefinery's operating costs and environmental impact. Reductive Catalytic Fractionation (RCF) is a highly efficient lignin-first approach that combines biomass fractionation and lignin depolymerization to generate a hydrogenolysis oil and pulp. The oil is composed of a complex mixture of phenolic monomers, dimers, and oligomers. Intergrating this chemical deconstruction process with microbial funneling of phenolics can simplify the product mixture and make high-value products. We applied RCF to poplar biomass in a biomass-to-bioproduct processing chain in which the phenolics were funneled to 2-pyrone-4,6-dicarboxylic acid (PDC) by an engineered strain of Novosphingobium aromaticivorans DSM12444. The pulp was enzymatically digested and the glucose and xylose was funneled to ethanol by an engineered strain of Saccharomyces cerevisiae GLBRCY945. By combining biomass fractionation and lignin depolymerization we removed a costly processing step that directly translated into a 29% reduction in the minimum selling price of PDC. This work combines experimentation with process modeling of an integrated biorefinery design to show how utilizing tandem process steps can significantly reduce operating expenses and environmental impact of upgrading lignocellulosic biomass to a portfolio of high value products.

Sener, Canan [Great Lakes Bioenergy Research Cente↗