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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Solar Heat for Industrial Processes: Integration with Chemical Reactors

The integration of solar thermal systems with chemical reactors has been proposed as part of a larger effort to develop and deploy solar heat for industrial processes (SHIP) technologies. A strong motivation for SHIP processes and technologies is the potential for high thermal efficiency coupled with low-cost thermal energy storage (TES) which can enable commercial deployment of such systems. While there are different ways to categorize SHIP technologies, one important such distinction is between directly irradiated systems and indirect off-sun process driven by a SHIP system. While directly irradiated systems can provide high thermal efficiencies and high fluxes, they usually require complex engineering solutions due to the need for redesigning the established processes and unit operations. In most cases, it is also more challenging to couple such a process to a TES system, losing some of the benefits of SHIP. On the other hand, using a SHIP system to drive an industrial process off-sun can allow better integration with existing process chains, easier TES capabilities, and potential for more applications fitting a specific SHIP technology. However, the integration of SHIP systems with the industrial processes is not fully explored in detail, especially in the case of high-temperature processes such as reforming, cracking, cement manufacturing, and iron/steelmaking. Many of these systems require heating fluxes of >50 kW/m^2, supplied via combustion of hydrocarbons in a fire box and benefitting from radiative heat transfer between the flue gases and the reaction zones. As such, using SHIP systems for such processes is more complex than providing the same thermal input in the form of a heat transfer medium (HTM) entering the reactor, kiln, or furnace. Moreover, in case convective heat transfer using SHIP is envisioned, for example using supercritical CO2 as the HTM from a particle receiver, the thermal integration might be more challenging than initially envisioned: lower heat transfer coefficients and limited approach temperature might require large flow rates, causing a mismatch between the process thermal requirements and the thermal capacity of the SHIP system. In addition, even if the heat exchange between SHIP and reactor is effective, there is still a cold leg HTM at the reaction temperature or slightly below it. Chemical plants usually include a set of heat exchangers, heat recovery steam generators, and even power generation units - in a tightly integrated design - to recover the flue gases which are eventually vented. With SHIP systems mostly operating on a closed HTM loop, bottoming the cold leg is crucial. In this talk, we will present different modeling results for a variety of syngas production reactions, using catalytic and chemical looping processes, and discuss some of the challenges and design considerations for off-sun chemical reactors using SHIP systems.

14 SOLAR ENERGY↗
NASA NTRS1983

An investigation of sulfate production in clouds using a flow-through chemical reactor model approach

A flow-through chemical reactor model is developed to describe the mass transfer and chemical processes that atmospheric gases undergo in clouds. The model includes the simultaneous absorption of SO2, NH3, O3, NO(x), HNO3, CO2 and H2O2, the accompanying dissociation and oxidation reactions in cloud water, considers electrical neutrality, and includes qualitative parameterization of cloud microphysics. The model is used to assess the importance of the oxidation reactions H2O2-S(IV), O3-S(IV), and S(IV)-Mn(2+) catalysis, and the effects of cloud parameters such as drop size, rain intensity, liquid water content, and updraft velocity. Both precipitating and nonprecipitating clouds are studied. Model results predict sulfate production rates varying from 3 percent/hr to 230 percent/hr. The actual rate is highly dependent on the chemical composition of the uptake air and the physical conditions of the cloud. Model results also show that both the H2O2 and the O3 oxidation reactions can be significant.

Hong, M. S.↗
DOE OSTI2022

Using Chemical Reactor Models to Predict Fluidized Bed Pyrolysis Yields of Biomass Feedstocks

A detailed biomass pyrolysis kinetics scheme is implemented in reduced-order reactor models to predict chemical species yields from a fluidized bed reactor. The biomass composition in terms of cellulose, hemicellulose, lignins, and extractives are determined for several biomass feedstocks. Model results are compared to yields measured from a two-inch diameter bench-scale fluidized bed reactor operating at fast pyrolysis conditions. The reduced-order chemical reactor models compare favorably with the experimental measurements and capture trends in product yields due to biomass compositional effects such as high ash content. This work offers a computationally inexpensive approach to predict the quality of biomass pyrolysis products in a timely manner. Source code for the reactor models along with a biomass composition web tool are made available online for future scientific research efforts.

09 BIOMASS FUELS↗
DOE OSTI2025

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative to hydrogen with high energy density and favorable storage and transport characteristics. However, low flammability and a propensity for high nitrogen oxide (NO x ) emissions make direct utilization challenging. Recently, two-stage rich-quench-lean (RQL) combustion strategies have shown promise in achieving low NO x emissions with ammonia. In this approach, the rich stage serves to oxidize a portion of the fuel while thermally decomposing as much of the remaining ammonia as possible, generating hydrogen. In the second (lean) stage, air is rapidly introduced, burning out the hydrogen and residual ammonia. Two-stage RQL combustion of ammonia has been investigated in the open literature both experimentally and numerically. In general, idealized chemical reactor network (CRN) models predict NO x concentrations below those of 2D/3D computational fluid dynamics models and experiments. The primary drivers of these discrepancies may be largely attributed to finite rate mixing nonadiabatic operation. The typical CRN model is comprised of a perfectly-stirred-reactor (PSR), followed by a plug-flow-reactor (PFR), meant to represent the flame, and postflame zones, respectively. In the two-stage RQL approach two PSR-PFR networks are arranged sequentially, corresponding to the rich and lean stages, with secondary air injection in between. In the authors' past work, this arrangement has demonstrated the significant sensitivity of exit NO x to the rich stage equivalence ratio, while the amount of secondary air injection was shown to be less critical. In this paper, the CRN model is extended to (1) include the impacts of heat loss and (2) utilize a partially-stirred-reactor (PaSR) approach to study the impacts of mixing on emissions performance. Varying amounts of heat loss are applied to the rich relaxation zone to understand emissions performance and changes to optimization of equivalence ratio and residence time. Premixed and nonpremixed configurations are considered in the rich stage PaSR, with varying degrees of mixing intensity to study the interaction between mixing, transport, and kinetic timescales. Critically, the impact of mixing between hot products and secondary air injection is studied to understand practical injector needs. Results show unburnt ammonia leaving the rich stage as a primary contributor to NO x emissions – driven both by increased heat loss and reduced mixing rates. Furthermore, heat losses have been shown to create conditions that are conducive to increased N 2 O formation in the lean stage. In conclusion, the results of this study will be considered in the context of developing optimized two-stage RQL combustors for ammonia.

Combustion↗
DOE OSTI2025

Chemical Reactor Network Modeling of Ammonia Rich-Quench-Lean Combustion Using a Partially Stirred Reactor Approach

Ammonia is a promising alternative fuel, but its use is challenging due to low flammability and high nitrogen oxide (NOx) emissions. Two-stage rich-quench-lean (RQL) combustion strategies have shown promise in reducing NOx emissions. This approach involves two stages: a rich stage that oxidizes part of the fuel and decomposes ammonia into hydrogen, and a lean stage that burns out the hydrogen and residual ammonia. Researchers used a chemical reactor network model to study the effects of heat loss and mixing on emissions performance. They found that heat loss and reduced mixing rates can lead to increased NOx emissions and N2O formation. The results will inform the development of optimized two-stage RQL combustors for ammonia, with a focus on minimizing NOx emissions and improving overall efficiency.

ammonia combustion↗
DOE OSTI2023

Colloidal State Machines as Smart Tracers for Chemical Reactor Analysis

A widely utilized tool in reactor analysis is passive tracers that report the residence time distribution, allowing estimation of the conversion and other properties of the system. Recently, advances in microrobotics have introduced powered and functional entities with sizes comparable to some traditional tracers. This has motivated the concept of Smart Tracers that could record the local chemical concentrations, temperature, or other conditions as they progress through reactors. Herein, the design constraints and advantages of Smart Tracers by simulating their operation in a laminar flow reactor model conducting chemical reactions of various orders are analyzed. It is noted that far fewer particles are necessary to completely map even the most complex concentration gradients compared with their conventional counterparts. Design criteria explored herein include sampling frequency, memory storage capacity, and ensemble number necessary to achieve the required accuracy to inform a reactor model. Cases of severe particle diffusion and sensor noise appear to bind the functional upper limit of such probes and require consideration for future design. The results of the study provide a starting framework for applying the new technology of microrobotics to the broad and impactful set of problems classified as chemical reactor analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Internal combustion engine as a chemical reactor to produce synthesis gas from hydrocarbon feeds

An internal combustion engine is operated at fuel-rich conditions by adjusting one or more operating parameters such as, for example, a throttle, an ignition timing, a load coupled to the engine, a fuel pressure, power to a supercharger, and power to a preheater to maintain a specified engine speed and a temperature of an exhaust gas. Operating the engine under these conditions allows the engine to function as a reformer producing a synthesis gas comprising hydrogen and carbon monoxide.

Carpenter, III, John Reeves↗
DOE OSTI2021

A simulation-based parametric study of CLOU chemical looping reactor performance

Chemical looping with oxygen uncoupling (CLOU) is a variant on chemical looping combustion in which the oxygen carrier releases gaseous O 2 in the fuel reactor, making it well-suited for solid fuels, since the released gaseous O 2 readily reacts with solid char. This work presents several computational fluid dynamic (CFD) simulations of copper-based CLOU in a dual fluidized bed system, each with different operating conditions. The modeling predicted that coal particle sizes as large as 1000 μm did not significantly affect performance. Increased oxygen carrier copper loading resulted in an excess of gaseous oxygen in the product gas stream. Decreasing the oxygen carrier bed mass as well as reducing the air reactor fluidizing velocity did not supply enough oxygen to the fuel reactor to complete combustion of the coal. This generated a failure state in which the temperature continued to decrease in the fuel reactor from the lack of combustion, which in turn reduced the O 2 equilibrium partial pressure, further lowering the amount of combustion possible. Sufficient O 2 can be maintained in the fuel reactor by ensuring a high enough air reactor velocity and a large enough supply of oxygen carrier inventory to handle the chosen coal feed rate.

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

Chemical redox of lithium-ion solid electroactive material in a packed bed flow reactor

Chemical redox reactions between solid electroactive materials and dissolved electroactive compounds are a necessary component of emerging technologies relevant to renewable energy including high energy density flow batteries and battery material recycling. In this work, an initial investigation of heterogeneous chemical redox for a packed bed reactor configuration between solid electroactive material and dissolved redox shuttles will be described. Experimental conditions including the height of the packed bed, the redox shuttle solution concentration, solution flow rate, and operating temperature were varied and their impact on the molar conversion of the solid electroactive material in the packed bed was quantified using electroanalytical techniques on the reactor effluent. The progression of the reaction and its dependence on the different variables explored will be discussed in the context of the limiting processes for porous packed aggregates of the solid electroactive material undergoing chemical oxidation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1999

Microchemical and Thermal Systems for In-Situ Resource Utilization

Process Intensification and Process Miniaturization can simultaneously be achieved through the application of microfabricated chemical process systems, based on the rapid heat and mass transport in engineered microchannels. Researchers at NASA's Johnson Space Center (JSC) and the Department of Energy's Pacific Northwest National Laboratory (PNNL) are collaboratively developing micro thermal and chemical systems for NASA's Mission to Mars program. Preliminary results show that many standard chemical process components (e.g., heat exchangers, chemical reactors and chemical separations units) can be reduced in hardware volume without a corresponding reduction in chemical production rates. Low pressure drops and improved thermal integration are also accomplished when appropriate scaling rules are applied and when individual microchemical components are packaged together into integral systems.

Wegeng, Robert S.↗
NASA NTRS1999

Microchemical and Thermal Systems for In-Situ Resource Utilization

Process Intensification and Process Miniaturization can simultaneously be achieved through the application of microfabricated chemical process systems, based on the rapid heat and mass transport in engineered microchannels. Researchers at NASA's Johnson Space Center (JSC) and the Department of Energy's Pacific Northwest National Laboratory (PNNL) are collaboratively developing micro thermal and chemical systems for NASA's Mission to Mars program. Preliminary results show that many standard chemical process components (e.g., heat exchangers, chemical reactors and chemical separations units) can be reduced in hardware volume without a corresponding reduction in chemical production rates. Low pressure drops and improved thermal integration are also accomplished when appropriate scaling rules are applied and when individual microchemical components are packaged together into integral systems.

Wegeng, Robert S.↗
NASA NTRS2000

Micro Thermal and Chemical Systems for In Situ Resource Utilization on Mars

Robotic sample return missions and postulated human missions to Mars can be greatly aided through the development and utilization of compact chemical processing systems that process atmospheric gases and other indigenous resources to produce hydrocarbon propellants/fuels, oxygen, and other needed chemicals. When used to reduce earth launch mass, substantial cost savings can result. Process Intensification and Process Miniaturization can simultaneously be achieved through the application of microfabricated chemical process systems, based on the rapid heat and mass transport in engineered microchannels. Researchers at NASA's Johnson Space Center (JSC) and the Department of Energy's Pacific Northwest National Laboratory (PNNL) are collaboratively developing micro thermal and chemical systems for NASA's Mission to Mars program. Preliminary results show that many standard chemical process components (e.g., heat exchangers, chemical reactors and chemical separations units) can be reduced in hardware volume without a corresponding reduction in chemical production rates. Low pressure drops are also achievable when appropriate scaling rules are applied. This paper will discuss current progress in the development of engineered microchemical systems for space and terrestrial applications, including fabrication methods, expected operating characteristics, and specific experimental results.

Wegeng, Robert S.↗
NASA NTRS2007

Development of a Reactor Model for Chemical Conversion of Lunar Regolith

Lunar regolith will be used for a variety of purposes such as oxygen and propellant production and manufacture of various materials. The design and development of chemical conversion reactors for processing lunar regolith will require an understanding of the coupling among the chemical, mass and energy transport processes occurring at the length and time scales of the overall reactor with those occurring at the corresponding scales of the regolith particles. To this end, a coupled transport model is developed using, as an example, the reduction of ilmenite-containing regolith by a continuous flow of hydrogen in a flow-through reactor. The ilmenite conversion occurs on the surface and within the regolith particles. As the ilmenite reduction proceeds, the hydrogen in the reactor is consumed, and this, in turn, affects the conversion rate of the ilmenite in the particles. Several important quantities are identified as a result of the analysis. Reactor scale parameters include the void fraction (i.e., the fraction of the reactor volume not occupied by the regolith particles) and the residence time of hydrogen in the reactor. Particle scale quantities include the time for hydrogen to diffuse into the pores of the regolith particles and the chemical reaction time. The paper investigates the relationships between these quantities and their impact on the regolith conversion. Application of the model to various chemical reactor types, such as fluidized-bed, packed-bed, and rotary-bed configurations, are discussed.

Hedge, uday↗