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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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172 records · Page 10

Electrochemical Recycling of CO2

Carbon dioxide (CO2) is a molecule that plays multiple roles in our universe. Currently, its impact on global warming has rightfully given CO2 a label as a harmful waste product that must be amply handled. Nonetheless, under other circumstances, and from other perspectives, CO2 could be regarded as a valuable resource. As example, in nature CO2 is an essential building block in photosynthesis ultimately yielding molecules and materials that we harvest for numerous applications ranging from energy storage and construction to medicines and food. In a similar manner, there is a growing interest to utilize atmospheric CO2 to generate renewable fuels and platform chemicals through artificial processes. These processes can replace fossil based industrial processes on earth alleviating climate impact, but they can also find uses far away from our planet. In space, CO2 is an important source of precious oxygen, however, it can also serve as feedstock for carbon-based molecules and materials that are needed to sustain societies at distant planets such as Mars. In this presentation, I will discuss the contemporary understanding of electrochemical reduction of CO2 for selective production of desired molecules. We will zoom in to the very atomic scale to gain mechanistic understanding of how the structure and composition of the cathode electrode affects product distributions. This information is used as guide in the design of new materials that convert CO2 more efficiently and more selectively. On this basis, opportunities for recycling CO2 under different conditions will be discussed, as will remaining challenges for the ultimate application towards the sustainable human living on earth and in space.

electrochemistry↗

Enhancing the Sensitivity of Redox Detection in Search-for-Life Missions Using Chemical Vapor Deposition (CVD) Graphene Electrodes

The primary objective for this effort is to fabricate and characterize redox-active molecules using CVD graphene as working electrodes using standard "on-chip" lithographic techniques. We then plan to move away from “on-chip” graphene electrodes and study methods for CVD graphene transfer that can also accommodate in-space manufacturing (ISM), enabling the use of this technology for crewed mission operations of the future.

graphene↗

Continuous and Cyclic Demonstration of In-Situ Electrochemical Hydrogen Peroxide Generation

Aqueous hydrogen peroxide (H2O2) is a versatile cleaning solution that has several potential applications for Lunar Surface and Martian missions: Faraday Technology, via an SBIR contract, developed Peroxide Generation Units (PGUs) that can generate 3 wt.% aqueous H2O2 in situ by passing deionized water and air through an electrolysis cell. In April 2022, Faraday delivered three PGUs to NASA as part of their SBIR Phase IIE/III contracts. The EC3 Air Team was awarded an Engineering Innovation Funds (EIF) to design and assemble a test rig to verify performance of the PGUs and compare performance and longevity of the multiple Anion Exchange Membranes.

Hydrogen peroxide↗

Multiphysics Modeling of Electrode Dissolution under Hydrodynamic Conditions in Low Conductivity Water

Efficient plug-flow electrochemical reactors are characterized by their ability to effectively convert species with significant ionic strength and/or with the assistance of a well-behaved electrolyte. Because of the classic electroconductivity requirement, electrochemical reactors are not particularly attractive options for applications with low-conductivity conditions, especially for low-pressure feeds. However, these reactors can still find application in dedicated processes such as ultra-clean water conditioning and biological-coupled separation systems. Consequently, a multi-physics model was developed using COMSOL Multiphysics to characterize different reactor-design conditions based on the Tertiary Current Distribution which accounts for the effects of expected variations in electrolyte composition and ionic strength on the electrochemical process, as well as solution resistance and electrode kinetics. The modelling framework presented here employs single-phase laminar fluid flow, the Nernst-Planck equation, the water-based electroneutrality condition, and concentration-dependent overpotentials. This investigation particularly explores the electrolysis process of “anodic dissolution,” in which elemental species dissociate from the solid matrix of the electrode and enter the liquid phase of the electrolyte as soluble ions. The reactor configuration of interest has a rectangular parallel-electrode design and is operated galvanostatically. A series of parametric studies are carried out to inspect the response of the system when hydrodynamic, kinetic, and geometric conditions are changed. The parametric sweep resulted in variable effluent concentrations and system voltage, which reveal underlaying optimization patterns for electrode dissolution in low conductivity water.

Multiphysics↗

Cathode Modeling of Solid-State Batteries

The search for safe, reliable, and compact high-capacity energy storage devices has led to increased interest in all-solid-state battery research. The use of solid electrolytes provides enhanced safety and durability due to their reduced flammability and increased mechanical strength compared to organic liquid electrolytes. Still, the use of solid electrolytes remains challenging. Computational modeling plays a substantial role in addressing these challenges. A particle dynamics electromechanical model for simulating electrochemical processes in a solid-state battery cathode will be presented. The model presents cathode microstructure at the particle level as a mixture of ionically conductive solid electrolyte particles, electrically conductive carbon additives, and cathodic reactant particles. After densification, the particle connectivity is analyzed to reconstruct the complex electric network connecting reactant particles with an anodic and cathodic current collectors through the electrolyte and carbon particles. The Kirchhoff’s matrix equation describing this electric network, is solved to obtain values of various critical parameters, such as the overall conductivity of the cathode for lithium ions and electrons, cathodic reactant material utilization, and the distribution of the electric current and voltages within the cathode. In addition, by representing the reactant particles as electrolyte or galvanic microcells governed by the Butler-Volmer electrochemical equation, the overall performance of battery cells during charge or discharge processes, respectively, can be predicted for a given cathodic powder composition. The presented model, executed on a high-performance computing architecture, essentially provides a valuable guidance in designing and developing future solid-state batteries.

solid-state battery↗

Lithium Nucleation of Anode-Free Solid-State Batteries with a Dry Compressible Interlayer

Anode-free lithium batteries offer promising advantages, including increased energy density and the ability to address common mechanistic failures within the cell, thus increasing safety. One way that can make this possible is to control lithium nucleation. This could be achieved by reducing the overpotential required and implanting lithophilic nucleation sites in an anodic interlayer to aid in lithium ion transport and plating. The concept has been utilized in solid-state battery systems where electrolytes are solids with further improved safety and structural longevity. In this presentation, we discuss the use of a silver-holey graphene-based anodic interlayer that can be fabricated via direct dry compression without the use of solvent or binder. The addition of silver to the holey graphene matrix creates a route to lithium plating via a lower-energy intermediate. This idea is supported by the presence of a lithium-silver alloy that forms during the activation step. It is understood that the embedded silver acts as a nucleation site for lithium ions, thereby assisting in even plating. This control, combined with the added cushion of the holey graphene itself, can help reduce dendrite formation, ultimately increasing the safety and lifetime of the solid-state batteries.

Solid state batteries↗

Mathematical Model of a Regenerative Fuel Cell for System Optimization

This thesis developed a system-level optimization model of a regenerative fuel cell (RFC) system for long-duration, off-world energy storage applications. Prior RFC design studies have typically been limited to reduced parameter sets and simplified constraints due to computational limitations relative to the number of relevant degrees of freedom. As a result, important nonlinear interactions between subsystems have not been fully captured. This work began to address that gap by developing a higher-fidelity, nonlinear optimization framework that incorporates a broader set of design variables and coupled constraints, enabling a multidimensional model that captures the coupled behavior of RFC subsystems and demonstrates the feasibility of applying optimization to such systems. An expanded system-level optimization approach was established that captures interactions between electrochemical performance, structural requirements, and storage design. This enabled a more comprehensive evaluation of trade-offs than conventional formulations. The model integrates four coupled subsystems: a fuel cell, an electrolyzer, reactant gas, and high-pressure storage tanks, and was formulated to accommodate a wide range of mission parameters, including operational time and required output power. It incorporates constraints on available solar array power, reactant mass balance between production and consumption, and pressure-dependent storage requirements. To enable reliable convergence, the optimization problem was reformulated to reduce dimensionality and improve numerical stability, with subsystem models organized for efficient evaluation. Problem dimensionality was reduced by consolidating lower-level design variables into higher-level representative quantities, and subsystem behavior was evaluated within the optimization loop. A multi-start initialization strategy was employed to mitigate sensitivity to local minima and improve solution quality, while nonlinear relationships were solved using robust numerical methods. The results showed that convergence was achieved across a range of required output power values. Specific energy reached a maximum at a critical mission power level, where the electrolyzer power matched the available solar input and operated near its voltage and current density limits. Beyond this point, further increases in required power resulted in less mass-efficient operation, increasing total system mass and reducing overall performance. The developed model represents an advancement in RFC system-level optimization by enabling analysis of a broader and more tightly coupled design space than previous considerations. While convergence behavior and computational cost remain challenges, the methods introduced improve solvability and allow inclusion of additional design variables with minimal loss of physical fidelity. However, the numerical results should not be interpreted as definitive design recommendations, as the model includes simplifying assumptions and omits several higher-order effects. Future work should extend this framework by incorporating additional subsystems and loss mechanisms, such as thermal management, parasitic power consumption, and reactant losses, to improve fidelity and ensure more representative design conclusions.

Electrochemistry↗