Search NASA⌕ Search

SEARCH · Search NASA

Results for “CONNECT”

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 289 records · Page 16

Pore architecture controls on mineral reactivity

Mineral dissolution rates measured in natural environments are much slower than those measured in laboratory settings. This project tested the hypothesis that the way fluid flows through rocks in natural systems creates areas where mineral dissolution is fast and areas where mineral dissolution is slow. This hypothesis was tested with a combination of laboratory experiments and numerical simulation. We demonstrated a separation of fluid flow pathways and rates of mineral dissolution in laboratory experiments for the first time using an experimental approach where we created synthetic rocks that have different ratios of connected and dead-end pathways for fluid flow. In laboratory experiments with higher proportions of dead-end pathways, the mineral dissolution rates were slower. We found that where fluid flows through connected pathways the continuous refreshing of fluid at the mineral surface creates conditions where dissolution is fast. In contrast, where fluid either flows slowly through poorly connected pathways or is stagnant in dead-end pathways, mineral dissolution is slow. The results from this project suggest that the overall slowing of rates of mineral dissolution is important when the proportion of dead-end pathways is greater than ~40%. This project informs our understanding of the way that fluids react with rocks in carbon dioxide sequestration and enhanced geothermal projects where fluids are purposefully injected into rocks for energy applications.

58 GEOSCIENCES↗

CSAC observations from 2025 CHEDAR review [Slides]

Overall, the CSAC is impressed by the strong start of CHEDAR, a multi-institutional center with broader scope than its predecessor. The CSAC was impressed and energized by discussions with center students and staff; the enthusiasm for science is universal and the sense of the contribution in context to the NNSA mission is mostly understood. The Center is well positioned to build on a strong start and (1) enhance integration of code-development targeted to, and numerical design in on-going experimental campaigns, (2) focus and better tell the story of the astrophysical connection for on-going experimental campaigns, and (3) expand and deepen ties between Center students (and faculty) and the NNSA National Laboratories. Overall, the CSAC was encouraged and energized by the materials presented. Now, the Center has to recognize the need to continue growing strategically. There is abundant access to experimental facilities – is that a challenge to focused effort? The PIs will need to balance the pace of experimental campaigns and analysis and simulation so that informed progress and focused investigation can develop in each campaign. There was a clear need to connect simulations to the goals of experimental campaigns – what is the best way to cultivate that connection? Are there adequate resources in the near term to develop code capability? What is the balance between close personal mentorship and collaboration across the separate institutions that compose the Center? The CSAC feels confident that the team leading CHEDAR will find creative solution to these challenges.

47 OTHER INSTRUMENTATION↗

Machine Learning Approaches to Predicting Induced Seismicity and Imaging Geothermal Reservoir Properties

This project developed machine learning (ML) methods, lab data sets, and field data to advance geothermal exploration and geothermal energy production. The work had three focus areas. One involved the development of ML methods to use microearthquakes (MEQs) for imaging geothermal reservoir properties and improving subsurface characterization – most importantly the evolution of permeability within the evolving reservoir. This part of the work included development of ML approaches for automated MEQ location, focal mechanism determination and identification of earthquake precursors. The second area focused on using MEQ signals generated by geothermal exploration and production to predict the relationship between fluid injection and seismicity. Here, we extended to reservoir scale our success in using ML to predict laboratory earthquakes and fault zone stress state. The third focus area was on lab experiments. Here, we developed new ML models for lab earthquake prediction and identification of precursors to failure to improve earthquake forecasting and early warning in geothermal settings. Major outcomes of our work include ML models that learn from MEQ signals during geothermal exploration and production to predict induced seismicity. MEQs occur naturally in connection with drilling and energy production. We developed ML methods to use the seismic waves from these events to characterize the elastic, hydraulic and poromechanical properties of reservoirs. Our work illuminated fracture geometry and the evolution of fracture permeability by incorporating seismic coda wave analysis and ML methods to relate fluid injection and seismicity. We significantly expanded laboratory earthquake prediction to include methods that use both passive measurements of microearthquakes within the lab fault zones and also active source acoustic measurements of fault zone elastic properties. These methods can now predict fault zone stress state, time to failure and the magnitude of lab earthquakes. Our work showed that repetitive stick- slip failure events during frictional sliding (the lab equivalent of earthquakes) are preceded by a cascade of micro-failure events that radiate energy in a manner that foretells unstable failure – manifest as laboratory MEQs. We documented a mapping between fracture properties and statistical attributes of elastic radiation. We extended existing works to geothermal reservoir scale and developed ML methods to determine reservoir permeability, fracture properties, and their evolution during geothermal energy production. An attractive feature of ML algorithms is their ability to handle big datasets and reveal patterns and correlations that may remain invisible to conventional analyses. Our work connected data from field, laboratory and intermediate scales to study permeability, stress, strength, fracture stiffness and geometry. At the field scale we used data from the Newberry Volcano field site, UtahFORGE, EGS Collab, and also the Bedretto underground research lab in Switzerland. These data sets are bridging the gap between the lab scale, theory, and reservoir scale. Our work produced plain language summaries to improve public understanding of DOE research. We also developed openly distributed ML and seismicity datasets for use by all researchers and we published connections between induced seismicity in geothermal areas and reservoir properties including permeability, fracture properties, and stress state. Our models are designed for the large data sets of induced seismicity typically associated with geothermal sites. We produced labeled event catalogs and used them on geothermal data to assess how ML can facilitate geothermal production and exploration. All datasets are available on the GDR Productivity: The project produced 32 publications in peer reviewed journals (two are in review). It supported the work of 6 PhD students, 40 conference presentations, 6 keynote talks at national meetings, and mentoring and professional development for 4 postdoctoral fellows.

15 GEOTHERMAL ENERGY↗

Optimized V1G and V2G Electric Vehicle Fleet Management and Grid Transaction at Marine Corps Air Station Miramar in San Diego, CA

The overall technical goal of the project was to demonstrate an all-electric bi-directional non-tactical fleet at Marine Corps Air Station (MCAS) Miramar that was integrated and controlled with other distributed energy resources (DERs) (i.e., PV, stationary battery, and building loads) to provide resilience to critical electric loads in the event of grid outages, to minimize charging costs, and to provide economic energy resources to electricity markets. In this project, the specific, technical objectives were: 1. Demonstrate that bi-directional electric vehicles can provide critical complementary services to fixed storage batteries in microgrid applications while performing function as non-tactical vehicles. 2. Demonstrate participation of bi-directional (V2G) and unidirectional (V1G) PEVs for demand management and minimization of charging costs. 3. Demonstrate integration of multiple DERs for grid service participation. US Marine Corps Air Station (MCAS) Miramar in San Diego was the site of this electric vehicle-to-microgrid-utility grid test and demonstration project. Existing microgrid assets in this study included (1) a public works building; (2) a 30-kW rooftop photovoltaic (PV) system and (3) a separate 250 kW carport PV system. In this project, six bi-directional V2G vans were located at the MCAS Miramar’s showcase building-scale microgrid to develop and test technical capabilities that V2G can provide in microgrid applications (e.g., cost reduction and resiliency). These resources provided aggregated demand management and simulated participation in current retail DR programs. The vehicles used in this demonstration were selected because they provided functionality that MCAS Miramar needed, 15 passenger transport and facilities work cargo carrying capacity, and bi-directional charging capability that the research project required. All vehicles in this study were manufactured and distributed by VIA Motors, Inc. There were six vehicles total and each was VIA’s VTRUX eREV V2G model, a modified General Motors Chevrolet 2500 2WD van. Three of the vans were configured as passenger vans and the other three were configured as cargo vans. Each van had an on-board bi-direcrtional inverter/charger, Bel Power Solutions model 350INVCHGT150-120-240-8G nominally rated at +/-15 kW. The VIA van’s charging connector follows the J1772 charging protocol. The bi-directional EVSEs demonstrated in this study were manufactured by Coritech, Inc. Each VGI-80-AC charging station enabled enhanced V2G charging capability to a Clipper Creek CS-100 charging module. The enhanced capabilities included ethernet communication following the SEP2.0 protocol with a distributed energy resource function set and an operator screen displaying real-time SOC, voltage, and current. The VGI-80-AC charging stations are classified as level 2 with a maximum current output of 80 A or effectively 19 kW. The VIA van’s onboard charger limited the charging and discharging power to 15 kW in each direction. A control computer was installed in the EWOC and connected to an existing monitor. The V2G control communication network was a completely stand-alone closed system that did not have any connection to any other networks on the base. A cybersecure remote communication connection was created with a cellular modem, firewall hardware, and a virtual private network configuration.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Preliminary Analysis of Nuclear-Powered Data Center Scenarios

This report provides a comprehensive analysis of the potential for nuclear energy to meet the growing energy demands of data centers (DCs). It evaluates the technical, economic, and socio-environmental implications of coupling Nuclear Power Plants (NPPs) with DCs, providing initial responses to several key research questions: What is the potential increased energy demand from DCs in the U.S., in the short, medium and long term? The U.S. is experiencing a rapid increase in energy demand from DCs, with projections indicating a total increase of 24-74 GWy(e) by 2028. Meeting this demand with nuclear energy would require 27–85 GWe of installed capacity. While this surge is expected to slow in the long term, the DC industry needs reliable, scalable, and clean energy sources. How much nuclear capacity can be deployed to meet DC demand and in which timeframe? Several pathways for increasing nuclear capacity were identified, including uprates, restarts of recently retired reactors, power purchase agreements with existing fleet, and new construction. Approximately 20‒28 GWe of nuclear capacity could be dedicated to DCs by the early 2030s. How much High Assay Low Enriched Uranium (HALEU) would be needed to support some nuclear deployment scenarios for DCs? Meeting the deployment targets announced by Google and Amazon for the Kairos Power Fluoride-Salt-Cooled High-Temperature Reactor or KP-FHR (~500 MWe by 2035) and the Xe-100 (~1 GWe by 2040), respectively, requires ramping up 19.75% enriched HALEU production to ~6 t/yr by 2040. What types of nuclear energy/DC coupling options exist, and what are the different benefits/challenges? Five coupling options were analyzed, ranging from grid-connected configurations to colocated, behind-the-meter setups. Key design considerations include the proximity to high- and/or medium-voltage transmission lines, the desired internal fault tolerance, and the sources of alternative/backup power during outages. Each coupling option offers unique benefits and challenges in terms of reliability, system costs, regulation, timeline, etc. A list of NPP/DC deployment scenarios was developed, considering existing or newly built NPP or DC projects. Colocated DCs with new small modular reactors or large reactors on greenfield and brownfield sites are the focus of this report. What types of reactors, especially what size, may be incentivized by DCs? Reactor sizing optimization revealed that the ideal reactor size and number of units depend on DC demand, coupling configurations defined in this report, and other economic factors. Larger reactors are preferred for high-demand DCs and grid-connected systems, while larger number of smaller reactors are better suited for DC configurations without grid backup. Which sites may be compatible with co-located nuclear-powered DCs? Siting those projects is a complicated evaluation factoring local water resources, grid connection availability and reliability, IT infrastructure, local work force, proximity to population zones, etc. For this effort greenfield and brownfield sites such as retired coal-fired plants were used to evaluate this question. This evaluation is not meant to recommend any particular site but it highlights key siting criteria and demonstrates large-scale site availability. What are the socio-economic impacts of co-located nuclear-powered DCs? Those projects generate substantial economic benefits to the local economy, particularly in urban settings. Hyperscale DCs colocated with nuclear power plants (sized around 1 GW of power) can create nearly 1,700 jobs for annual operations and more than 7,300 jobs among the supply chain and local businesses as a result of increased household spending. Rural projects also provide significant benefits, but at lower magnitudes compared to urban deployments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Forecasts for Galaxy Formation and Dark Matter Constraints from Dwarf Galaxy Surveys

Abstract The abundance of faint dwarf galaxies is determined by the underlying population of low-mass dark matter (DM) halos and the efficiency of galaxy formation in these systems. Here, we quantify potential galaxy formation and DM constraints from future dwarf satellite galaxy surveys. We generate satellite populations using a suite of Milky Way (MW)–mass cosmological zoom-in simulations and an empirical galaxy–halo connection model, and assess sensitivity to galaxy formation and DM signals when marginalizing over galaxy–halo connection uncertainties. We find that a survey of all satellites around one MW-mass host can constrain a galaxy formation cutoff at peak virial masses of M 50 = 10 8 M ⊙ at the 1 σ level; however, a tail toward low M 50 prevents a 2 σ measurement. In this scenario, combining hosts with differing bright satellite abundances significantly reduces uncertainties on M 50 at the 1 σ level, but the 2 σ tail toward low M 50 persists. We project that observations of one (two) complete satellite populations can constrain warm DM models with m WDM ≈ 10 keV (20 keV). Subhalo mass function (SHMF) suppression can be constrained to ≈70%, 60%, and 50% that in cold dark matter (CDM) at peak virial masses of 10 8 , 10 9 , and 10 10 M ⊙ , respectively; SHMF enhancement constraints are weaker (≈20, 4, and 2 times that in CDM, respectively) due to galaxy–halo connection degeneracies. These results motivate searches for faint dwarf galaxies beyond the MW and indicate that ongoing missions like Euclid and upcoming facilities including the Vera C. Rubin Observatory and Nancy Grace Roman Space Telescope will probe new galaxy formation and DM physics.

79 ASTRONOMY AND ASTROPHYSICS↗

Maximizing Efficiency and Quality: Leveraging Automated Testing for Laboratory Commissioning

The traditional commissioning process uses sampling to select equipment for functional acceptance testing when large quantities of equipment are present. Although this approach is generally effective in identifying wide-spread issues, it has several shortcomings: it fails to evaluate equipment not included in the sample, provides only a one-time validation of equipment operation, and the standard documentation is a simple checklist of pass/fail questions. During the construction and commissioning process of the new Research and Innovation Laboratory (RAIL) in Golden, CO, the National Renewable Energy Laboratory team engaged Group14 Engineering to implement a Connected Commissioning process using fault detection and diagnostic software for automated functional acceptance testing. This presentation highlights the advantages offered by automated functional testing in this critical laboratory setting: (1) sampling 100% of BAS-connected equipment during functional testing, (2) testing results backed by data beyond the traditional pass/fail checklist, and (3) an automated test process that can be regularly executed by the building management team for ongoing commissioning throughout the life of the building. The presentation will also cover technical challenges associated with Connected Commissioning and the important conversations with key stakeholders that need to occur well before functional acceptance testing in order to successfully implement the automated testing processes.

automated testing↗

An Innovative Energy Management System for Microgrids with Multiple Grid-Forming Inverters

As increasingly more grid-forming (GFM) inverter-based resources replace traditional fossil-fueled synchronous generators as the GFM sources in microgrids, the existing microgrid energy management systems (EMS) need to be updated to control and coordinate multiple GFM inverters that consider system control objectives under different microgrid connection states.For each state, we formulate an optimization problem and apply a real-time feedback-based control algorithm; altogether, the control algorithms seamlessly connect the states into a generic microgrid EMS that controls the nodal voltages and frequencies, becomes a virtual power plant (VPP) when connected to the main grid, and coordinates power sharing responsibility among GFM sources when islanded. We showcase the EMS on a real-world simulation of a microgrid under the different states to demonstrate its operational effectiveness.

energy management system↗

Cybersecurity Considerations and Research Pathways for Grid-Interactive Efficient Buildings

Federal facilities serve critical missions and functions that require safe, reliable, and efficient operations. Digitization of several facility operations has increased the cost-effectiveness of energy usage and optimization of energy system performance. As the building controls landscape shifts to become more connected and smarter, building operators now face unique opportunities and challenges to adopt smart enabled devices that can lower energy usage while also optimizing building system performance. The grid-interactive efficient buildings (GEB) initiative aims to make buildings cleaner and more flexible through these smart devices. Smart enabled devices allow greater connectivity and control through remote operations and provide crucial data for analytics and increased efficiency. GEBs enable demand flexibility that has the potential to reduce electrical costs and transform the grid edge where buildings connect to power grids. This operation of interconnected systems, if not designed with cybersecurity practices, causes security gaps and introduces potential attack paths by adversarial and non-adversarial entities leading to disruption of operations.

building controls↗

MEMS nanopositioner and method of fabrication

A microelectromechanical (MEMS) device is provided. The MEMS device comprises a substrate and a movable structure flexurally connected to the substrate, capable of moving in relation to the substrate, wherein the movable structure further comprising two or more segments having at least one mechanical connection between said segments to provide structural integrity of the moving structure; and wherein the at least one mechanical connection electrically isolates at least two segments.

Moheimani, Seyed Omid Reza↗

Emerging Threats in Transportation Security Related to Intelligent Transportation Systems (ITS)

Transport of high-consequence shipments requires a resilient and robust systems of systems to guarantee cargo arrival. Furthermore, rising adoption of technologies such as connected and automated vehicles (CAVs), intelligent infrastructure, and vehicle-to-everything (V2X) communication presents unique challenges for securing transportation systems. Within these Intelligent Transportation Systems (ITS), several additional vulnerabilities exist that create pathways for adversarial attacks and cargo interception. For example, connectivity provides cyber pathways directly into vehicle systems and infrastructure for malicious actors. Furthermore, advanced vehicle automation exposes additional vehicle control necessary for shipment interception otherwise unavailable to adversaries. Within this paper, we will discuss the specific threats introduced by ITS-enabled technologies currently deployed and in development. These include those mentioned related to connectivity and automation, but will be expanded into grid, infrastructure, and vehicle specific threats. In addition, we will discuss how to potentially mitigate these emerging challenges as well as how to safeguard transportation systems from next generation attacks.

Cook, Adian [ORNL] (ORCID:0000000160825395)↗

Cooling plate assembly for plasma windows positioned in a beam accelerator system

A beam accelerator system operable to produce a medical isotope, including an ion accelerator that generates an ion beam; a low-pressure chamber; an anode adjacent and fluidly connected to the low-pressure chamber; a plasma window adjacent and fluidly connected to the anode; and a cathode housing adjacent and fluidly connected to the plasma window. The plasma window has a plurality of plates, each plate having an aperture that is aligned with an aperture in one or more adjacent plates to form a plasma channel. One or more plates in the plurality of plates includes a unitary plate having an aperture therein, and one or more cooling channels entering the unitary plate at a first side of the unitary plate and exiting the unitary plate at a second side of the unitary plate. The one or more cooling channels run through a thickness of the unitary plate.

Gribb, Tye↗

Pore Structures in Detritusphere of Soils Under Switchgrass and Restored Prairie Vegetation Community

Root detritusphere, that is, the soil in the vicinity of decomposing root residues, plays an important role in soil microbial activity and C sequestration. Pore structure (size distributions and connectivity of soil pores) in the detritusphere serves as a major driver for these processes and, in turn, is influenced by the physical characteristics of both soil and roots. This study compared pore structure characteristics in the root detritusphere of soils of contrasting texture and mineralogy subjected to > 6 years of contrasting vegetation: monoculture switchgrass and polyculture prairie systems. Soil samples were collected from five experimental sites in the US Midwest representing three soil types. Soil texture and mineralogy were measured using a hydrometer and x-ray powder diffraction, respectively. The intact cores were scanned with x-ray computed micro-tomography to identify visible soil pores, biopores, and particulate organic matter (POM). We specifically focused on pore structure within the detritusphere around the POM of root origin. Results showed that the detritusphere of coarser textured soils, characterized by high sand and quartz contents, had lower porosity in the vicinity of POM compared with finer textured soils. POM vicinities in finer textured soils had high proportions of large (> 300 μm diameter) pores, and their pores were better connected than in the coarser soils. Lower porosity in the outer (> 1 mm) parts of the detritusphere of switchgrass than of prairie suggested soil compaction by roots, with the effect especially pronounced in the coarser soils. Here, the results demonstrated that soil texture and mineralogy played a major, while vegetation played a more modest, role in defining the pore structure in the root detritusphere.

54 ENVIRONMENTAL SCIENCES↗

Formation and retrieval of cell assemblies in a biologically realistic spiking neural network model of area CA3 in the mouse hippocampus

The hippocampal formation is critical for episodic memory, with area Cornu Ammonis 3 (CA3) a necessary substrate for auto-associative pattern completion. Recent theoretical and experimental evidence suggests that the formation and retrieval of cell assemblies enable these functions. Yet, how cell assemblies are formed and retrieved in a full-scale spiking neural network (SNN) of CA3 that incorporates the observed diversity of neurons and connections within this circuit is not well understood. Here, we demonstrate that a data-driven SNN model quantitatively reflecting the neuron type-specific population sizes, intrinsic electrophysiology, connectivity statistics, synaptic signaling, and long-term plasticity of the mouse CA3 is capable of robust auto-association and pattern completion via cell assemblies. Our results show that a broad range of assembly sizes could successfully and systematically retrieve patterns from heavily incomplete or corrupted cues after a limited number of presentations. Furthermore, performance was robust with respect to partial overlap of assemblies through shared cells, substantially enhancing memory capacity. These novel findings provide computational evidence that the specific biological properties of the CA3 circuit produce an effective neural substrate for associative learning in the mammalian brain.

hetero-association↗

Drought-induced changes in groundwater-surface water exchange at Lake Mead area

This study focuses on the Lake Mead region in the southwestern United States, a key water reservoir serving over 25 million people and agricultural lands across several states. The area has experienced recurring anthropogenic droughts since the early 2000s. We investigate the hydrological response of the coupled surface-groundwater system to the 2020–2022 drought, one of the most severe on record. To this end, we use Sentinel-1 Interferometric Synthetic Aperture Radar (InSAR) data to quantify vertical land motion caused by the elastic response of the crust to water-mass loss in the lake vicinity. Next, we apply an inverse elastic load modeling framework to quantify water loss. We further assess possible hydraulic connectivity between Lake Mead and adjacent groundwater reservoirs. We detect ground uplift of up to 8 mm/yr near the lake center, likely due to crustal rebound from reduced water-mass loading. We estimated the total water storage loss at 3.03 ± 0.25 km 3 /yr across a 3150 km 2 area surrounding Lake Mead. Groundwater accounts for approximately a third of that, being 0.94 ± 0.32 km 3 /yr. In addition, observed time lags of 6–98 days between lake and groundwater level responses, corresponding to a lateral diffusivity of 3.2–86 m 2 /s, suggest spatially variable connectivity between the lake and aquifers. These findings highlight that drought impacts propagate through the subsurface within interconnected systems, resulting in reduced buffering capacity of groundwater resources following droughts, and emphasizing the need for more integrated surface and groundwater management strategies to enhance resilience under climate and anthropogenic stressors.

58 GEOSCIENCES↗

Soil porous microstructure control over soil organic matter mobility: A multimethod workflow for understanding chemistry-dependent organic matter binding in soil

Soil organic matter (SOM) has attracted a great deal of interest; particularly for its potential to mitigate human derived CO 2 emissions. Studies have demonstrated that SOM plays a critical role in carbon storage and CO 2 sequestration. However, the sorption properties of SOM, which influence its transport in pore water and stabilization within the soil, remain poorly understood. This study develops a workflow to: (1) examine compound-specific advective and diffusive transport and desorption behaviors, (2) quantify desorption rates through stop-flow and continuous-flow column experiments, and (3) evaluate the impact of soil microporosity on SOM mobility using high-resolution imaging and extractions. Intact core column experiments were conducted on Uncultivated (Natural) and Cultivated soil samples, both were arid soils, collected in Washington State. X-ray computed tomography was employed to measure porosity and pore connectivity, while Fourier-transform ion cyclotron resonance mass spectrometry was used to analyze SOM composition. The findings revealed that cultivation increased total carbon and nitrogen levels due to irrigation and fertilization, enhancing carbon capture potential in arid soils. In contrast, the Natural soil, characterized by higher porosity and connectivity, contained more oxidized carbon. Pore network analysis indicated that soil compaction in the Cultivated soil may lead to longer diffusion pathways, significantly influencing SOM transport and stability.

Hydraulic Properties↗

Towards improved neutral exhaust in the HSX stellarator

To improve our knowledge of neutral exhaust in non-resonant divertors, a particle exhaust study is performed for the Helically Symmetric eXperiment (HSX). The chaotic magnetic field topology in the plasma edge is examined with connection lengths and Lyapunov exponents. Plasma flux tubes are identified and these flux tubes deposit particles onto plasma facing components. This helps determine the areas where neutrals are generated and provides guidance on where to put baffles. As shown using EMC3-EIRENE simulations, the introduction of baffles can help increase the neutral pressure at and away from the strike line locations. Furthermore, it is demonstrated that baffle design cannot only be based on placing structures at locations with small connection lengths.

Baffles↗

Degrees of Rate Control in Interconnected Reaction Networks

Overall reactions in interconnected networks exhibit net, forward, and reverse rates that are governed by both constitutive elementary steps in the pathway of interest and branching elementary steps that lead to alternative products. Accordingly, steps in branching pathways exhibit negative net, forward, and reverse degrees of rate control, as they reduce reaction flux to the desired product. We here contextualize the forward and reverse degrees of rate control in terms of kinetic resistances (inverse of rates) and leverage the additive nature of kinetic resistance to decouple kinetic driving forces contributed by constitutive elementary steps and branching points (nodal species) in interconnected networks. Regardless of the network connectivity, forward and reverse degrees of rate control are shown to converge at equilibrium. Away from equilibrium, we identify two critical features of interconnected networks: stoichiometric regularity─condition where all stoichiometric numbers are unity─and pathway symmetry around nodal species─condition where branching pathways share the same rate constants, stoichiometry, and species concentrations/activities─that result in (i) equal forward, reverse, and consequently net degrees of rate control and (ii) forward and reverse degrees of rate control that exhibit constant offsets, respectively, across all extents of reaction. Furthermore, our discourse further provides a mathematical description for the influence of stoichiometric irregularity and pathway asymmetry on forward and reverse degrees of rate control. Altogether, the presented work details the effects of network (inter)connectivity and stoichiometry on reaction kinetics and, in doing so, establishes general protocols for capturing these effects as additive terms in the formulation of forward and reverse degrees of rate control.

10 SYNTHETIC FUELS↗