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DOE OSTI2026

Scaling dynamics in low-salt-rejection reverse osmosis for high-salinity produced water desalination: Mechanistic modeling and membrane autopsy

Membrane scaling remains a critical barrier to the reliable operation of desalination systems, particularly for hypersaline produced water (PW) treatment. This study fills the knowledge gap of autopsy-based model validation for PW desalination by elucidating scaling mechanisms in a Low-Salt-Rejection Reverse Osmosis (LSRRO) system through the integration of pilot-scale experimentation and complementary modeling approaches. A semi-empirical modeling framework was developed and applied to a multistage pilot LSRRO system equipped with nanofiltration and RO membranes treating high-salinity PW from the Permian Basin. Water quality analysis showed that total dissolved solids decreased from ~130,000 mg/L to ~1900 mg/L in the permeate, then further reduced to ~300 mg/L by a second-pass RO. Two different thermodynamic modeling approaches were evaluated: the first extends the LSRRO framework by incorporating system complexity and scaling phenomena, whereas the second method explicitly captures concentration polarization in localized supersaturation. Both methods illustrate the tendency for carbonate and sulfate scaling throughout the stages. Membrane autopsies revealed a silica-dominated deposit matrix, localized CaSO 4 at Stage 2, and minor barite/celestite despite their prominence in model predictions. Quantum-chemical calculations indicated silica scaling can be rationalized by favorable adsorption of H 4 SiO 4 on Fe-oxide surfaces (ΔG ≈ −44 kJ/mol), providing a kinetic pathway for interfacial inorganic polymerization even when bulk equilibrium predictions are conservative. Overall, the thermodynamic scaling modeling and membrane autopsy revealed heterogeneous, localized deposits with limited impact on LSRRO performance, while quantum analysis rationalized the thermodynamically unfavorable precipitation formation under bulk equilibrium, reconciling model–autopsy discrepancies. These insights support targeted pretreatment and silica-specific antiscalants to extend membrane lifetime and increase recovery, providing a transferable framework for hypersaline water desalination systems. The combined experimental–computational approach provides new mechanistic insight into scaling in hypersaline membrane systems and establishes a transferable framework for predicting and mitigating scaling in next-generation desalination technologies.

Low-salt-rejection reverse osmosis↗

NASA NTRS2011

Satellite Observations and Chemistry Climate Models - A Meandering Path Towards Better Predictions

Knowledge of the chemical and dynamical processes that control the stratospheric ozone layer has grown rapidly since the 1970s, when ideas that depletion of the ozone layer due to human activity were put forth. The concept of ozone depletion due to anthropogenic chlorine increase is simple; quantification of the effect is much more difficult. The future of stratospheric ozone is complicated because ozone is expected to increase for two reasons: the slow decrease in anthropogenic chlorine due to the Montreal Protocol and its amendments and stratospheric cooling caused by increases in carbon dioxide and other greenhouse gases. Prediction of future ozone levels requires three-dimensional models that represent physical, photochemical and radiative processes, i.e., chemistry climate models (CCMs). While laboratory kinetic and photochemical data are necessary inputs for a CCM, atmospheric measurements are needed both to reveal physical and chemical processes and for comparison with simulations to test the conceptual model that CCMs represent. Global measurements are available from various satellites including but not limited to the LIMS and TOMS instruments on Nimbus 7 (1979 - 1993), and various instruments on the Upper Atmosphere Research Satellite (1991 - 2005), Envisat (2002 - ongoing), Sci-Sat (2003 - ongoing) and Aura (2004 - ongoing). Every successful satellite instrument requires a physical concept for the measurement, knowledge of physical chemical properties of the molecules to be measured, and stellar engineering to design an instrument that will survive launch and operate for years with no opportunity for repair but providing enough information that trend information can be separated from any instrument change. The on-going challenge is to use observations to decrease uncertainty in prediction. This talk will focus on two applications. The first considers transport diagnostics and implications for prediction of the eventual demise of the Antarctic ozone hole. The second focuses on the upper stratosphere, where ozone is predicted to increase both due to chlorine decrease and due to temperature decrease expected as a result of increased concentrations Of CO2 and other greenhouse gases. Both applications show how diagnostics developed from global observations are being used to explain why the ozone response varies among CCM predictions for stratospheric ozone in the 21st century.

Douglass, Anne R.↗

NASA NTRS2013

Electrochemistry-based Battery Modeling for Prognostics

Batteries are used in a wide variety of applications. In recent years, they have become popular as a source of power for electric vehicles such as cars, unmanned aerial vehicles, and commericial passenger aircraft. In such application domains, it becomes crucial to both monitor battery health and performance and to predict end of discharge (EOD) and end of useful life (EOL) events. To implement such technologies, it is crucial to understand how batteries work and to capture that knowledge in the form of models that can be used by monitoring, diagnosis, and prognosis algorithms. In this work, we develop electrochemistry-based models of lithium-ion batteries that capture the significant electrochemical processes, are computationally efficient, capture the effects of aging, and are of suitable accuracy for reliable EOD prediction in a variety of usage profiles. This paper reports on the progress of such a model, with results demonstrating the model validity and accurate EOD predictions.

battery↗

NASA NTRS1993

Computer-aided light sheet flow visualization

A computer-aided flow visualization process has been developed to analyze video images acquired from rotating and translating light sheet visualization systems. The computer process integrates a mathematical model for image reconstruction, advanced computer graphics concepts, and digital image processing to provide a quantitative and visual analysis capability. The image reconstruction model, based on photogrammetry, uses knowledge of the camera and light sheet locations and orientations to project two-dimensional light sheet video images into three-dimensional space. A sophisticated computer visualization package, commonly used to analyze computational fluid dynamics (CFD) data sets, was chosen to interactively display the reconstructed light sheet images, along with the numerical surface geometry for the model or aircraft under study. A description is provided of the photogrammetric reconstruction technique, and the image processing and computer graphics techniques and equipment. Results of the computer aided process applied to both a wind tunnel translating light sheet experiment and an in-flight rotating light sheet experiment are presented. The capability to compare reconstructed experimental light sheet images and CFD solutions in the same graphics environment is also demonstrated.

Stacy, Kathryn↗

NASA NTRS1993

Computer-Aided Light Sheet Flow Visualization

Stacy, Kathryn↗

NASA NTRS2008

An Ontology-Based Archive Information Model for the Planetary Science Community

The Planetary Data System (PDS) information model is a mature but complex model that has been used to capture over 30 years of planetary science data for the PDS archive. As the de-facto information model for the planetary science data archive, it is being adopted by the International Planetary Data Alliance (IPDA) as their archive data standard. However, after seventeen years of evolutionary change the model needs refinement. First a formal specification is needed to explicitly capture the model in a commonly accepted data engineering notation. Second, the core and essential elements of the model need to be identified to help simplify the overall archive process. A team of PDS technical staff members have captured the PDS information model in an ontology modeling tool. Using the resulting knowledge-base, work continues to identify the core elements, identify problems and issues, and then test proposed modifications to the model. The final deliverables of this work will include specifications for the next generation PDS information model and the initial set of IPDA archive data standards. Having the information model captured in an ontology modeling tool also makes the model suitable for use by Semantic Web applications.

Information Model↗

NASA NTRSDate not supplied

Method for Extracting Aerodynamic Coefficients and Winds On-the-Fly Using Real-Time GPS Data

The landing accuracy of an autonomous guided parafoil is influenced by its ability to predict the trajectory, which is shaped by the parafoil’s aerodynamic characteristics and atmospheric winds. The parafoil is subjective to imperfections from manufacturing, damage during deployment, lateral asymmetry, and so forth, leading to discrepancies between the actual aerodynamic properties and the onboard aerodynamic model. Thus, by acquiring an accurate knowledge of the aerodynamic properties and real-time winds, the onboard simulation can reduce the undertainties in the dynamics modeling for trajectory propagation to improve the landing accuracy. For that purpose, a non-linear least-squares method is developed to calculate differential corrections for optimizing and extracting the parafoil aerodynamic coefficients and winds on-the-fly using real-time data from the Global Positioning System (GPS). Post-flight analyses from two test flights have shown that the method provides improved simulations that closely match the GPS trajectories.

Lisa Ling↗

NASA NTRS2020

X-ray Spectra of the Fe-L Complex II: Atomic Data Constraints from the EBIT Experiment and X-Ray Grating Observations of Capella

The Hitomi results for the Perseus cluster have shown that accurate atomic models are essential to the success of X-ray spectroscopic missions and just as important as the store of knowledge on instrumental calibration and astrophysical modeling. Preparing the models requires a multifaceted approach, including theoretical calculations, laboratory measurements, and calibration using real observations. In a previous paper, we presented a calculation of the electron impact cross sections on the transitions forming the Fe-L complex. In the present work, we systematically tested the calculation against cross-sections of ions measured in an electron beam ion trap experiment. A two-dimensional analysis in the electron beam energies and X-ray photon energies was utilized to disentangle radiative channels following dielectronic recombination, direct electron-impact excitation, and resonant excitation processes in the experimental data. The data calibrated through laboratory measurements were further fed into a global modeling of the Chandra grating spectrum of Capella. We investigated and compared the fit quality, as well as the sensitivity of the derived physical parameters to the underlying atomic data and the astrophysical plasma modeling. We further list the potential areas of disagreement between the observations and the present calculations, which, in turn, calls for renewed efforts with regard to theoretical calculations and targeted laboratory measurements.

Liyi Gu↗

NASA NTRS1992

An architecture for the development of real-time fault diagnosis systems using model-based reasoning

Presented here is an architecture for implementing real-time telemetry based diagnostic systems using model-based reasoning. First, we describe Paragon, a knowledge acquisition tool for offline entry and validation of physical system models. Paragon provides domain experts with a structured editing capability to capture the physical component's structure, behavior, and causal relationships. We next describe the architecture of the run time diagnostic system. The diagnostic system, written entirely in Ada, uses the behavioral model developed offline by Paragon to simulate expected component states as reflected in the telemetry stream. The diagnostic algorithm traces causal relationships contained within the model to isolate system faults. Since the diagnostic process relies exclusively on the behavioral model and is implemented without the use of heuristic rules, it can be used to isolate unpredicted faults in a wide variety of systems. Finally, we discuss the implementation of a prototype system constructed using this technique for diagnosing faults in a science instrument. The prototype demonstrates the use of model-based reasoning to develop maintainable systems with greater diagnostic capabilities at a lower cost.

Hall, Gardiner A.↗

NASA NTRS1992

Desensitizing structural-control design

A new method for targeted robustness optimization is presented. This method allows the analyst to 'target' the most critical performance parameter (or family of design requirements with almost the same criticality) for enhanced protection from uncertainties in the model. To create this protection, this method uses knowledge about the uncertainties in some of the parameters of the model - this information is usually available to the structural analyst. The power of the targeted robustness method is demonstrated numerically using an active damping example. The results show that the most critical damping ratio is protected - its sensitivity to the uncertainties is far below those of non-critical damping ratios.

Ponslet, E.↗

NASA NTRS1990

Development of a knoweledge-based system for validating finite element models

The finite element modeling of an airframe structure requires knowledge of general purpose programs such as NASTRAN as well as a detailed understanding of the airframe structure. Due to the sophistication of general purpose programs such as NASTRAN, a substantial investment in time and effort is required to gain expertise in using them effectively. This paper describes the development of an expert system used in the validation of NASTRAN based finite element models. Experts in the NASTRAN based finite element modeling of airframe structures were interviewed to document, understand, and represent their knowledge and reasoning in the expert system. Finite element stress analysis and internal loads reports generated by the experts were reviewed to determine expert resolution of problem areas. As a result, areas requiring expert assistance in the modeling of the airframe structures were identified. The finite element input data is represented as a set of 'facts'. A rule based representation is used to code the expert knowledge. A hierarchical set of rules are applied. The expert system first acts as an intelligent front end to insure that all the prerequisites needed to perform the analysis are present. This includes material properties, boundary conditions, and connectivity information. The next step examines if incompatible sets of elements are connected. The succeeding step examines if the specific airframe component is modeled by the appropriate set of elements. The next and final step examines if the airframe members used are adequate to represent the anticipated state of stress. The expert system is designed to inform the user the severity of the error, the likely consequence and possible remedial action. The shell used in the development of the expert system is CLIPS. CLIPS contains a forward chaining inference engine based on the Rete algorithm. CLIPS may be implemented on most personal computers as well as mini computers and mainframes. The approach taken is general and can be implemented using commercially available expert system shells.

Munir, N. I.↗

NASA NTRS2020

Behavior modeling for cybersecurity

In this paper, we elaborate on the key actors within the context of the cyber world at the Jet Propulsion Laboratory and use Bayesian Belief Networks to represent the causal and probabilistic relationships between the various elements that affect an actor and the likelihood of exploits and adverse consequences that can occur due to an exploit. We assess the effectiveness of each of the mitigative methods and the sensitivity of the system to each of the aggravating as well as mitigative factors. We use a combination of objective incident data and Subject Matter Expert knowledge as input to these models.

King, James↗

DOE OSTI2024

Thermal Adaptation of Enzyme‐Mediated Processes Reduces Simulated Soil CO2 Fluxes Upon Soil Warming

Abstract Understanding factors influencing carbon effluxes from soils to the atmosphere is important in a world experiencing climatic change. Two important uncertainties related to soil organic carbon (SOC) stock responses to a changing climate are (a) whether soil microbial communities acclimate or adapt to changes in soil temperature and (b) how to represent this process in SOC models. To further explore these issues, we included thermal adaptation of enzyme‐mediated processes in a mechanistic SOC model (ReSOM) using the macromolecular rate theory. Thermal adaptation is defined here to encompass all potential responses of soil microbes and microbial communities following a change in temperature. To assess the effects of thermal adaptation of enzyme‐mediated processes on simulated SOC losses, ReSOM was applied to data collected from a 13‐year soil warming experiment. Results show that a model omitting thermal adaptation of enzyme‐mediated processes substantially overestimates observed CO 2 effluxes during the initial years of soil warming. The bias against observed CO 2 effluxes was lower for models including thermal adaptation of enzyme‐mediated processes. In addition, for a simulated linear 3°C soil warming over 100 years, models including thermal adaptation of enzyme‐mediated processes simulated SOC losses of a factor of three smaller than models omitting this process. As thermal adaptation of microbial community characteristics is generally not included in models simulating feedback between the soil, biosphere and atmosphere, we encourage future studies to assess the potential impact that microbial adaptation has on soil carbon – climate feedback representations in models. Plain Language Summary A major uncertainty in projecting how much soil organic carbon (SOC) will be converted to CO 2 as a consequence of climate change is related to how soil microbes may adapt to increasing soil temperatures. While this “microbial thermal adaptation” has been shown to occur in short‐term lab incubation experiments, its effect on SOC cycling on a decadal timescale is not clear. To address this knowledge gap, a mechanistic SOC model was used to simulate data collected from a 13‐year soil warming experiment, to assess how microbial thermal adaptation affects predicted SOC losses upon soil warming. The model results show that incorporating microbial thermal adaptation into the model led to reduced CO 2 effluxes from the soil to the atmosphere compared to the common approach of omitting this mechanism. Our results imply that projected SOC losses for the decades to come may be reduced when this mechanism is incorporated in land models. We therefore advocate for more research on the mechanisms controlling microbial thermal adaptation, and how to implement this mechanism in SOC models. Key Points A crucial aspect of soil organic carbon (SOC) models is the representation of soil microbes Predicted soil CO 2 fluxes upon soil warming are reduced when accounting for microbial thermal adaptation On a centennial time scale, this thermal adaptation results in up to a factor of three lower predicted SOC loss

Van de Broek, Marijn↗

NASA NTRS1989

Adaptive Control Of Remote Manipulator

Robotic control system causes remote manipulator to follow closely reference trajectory in Cartesian reference frame in work space, without resort to computationally intensive mathematical model of robot dynamics and without knowledge of robot and load parameters. System, derived from linear multivariable theory, uses relatively simple feedforward and feedback controllers with model-reference adaptive control.

Seraji, Homayoun↗

NASA NTRS1984

The numerical simulation of the evolution of a Saharan dust outbreak by using a general prognostic aerosol model

A three-dimensional model is developed that explicitly predicts the evolution of the spatial distributions of aerosols utilizing a time-dependent, initial value prognostic aerosol model based on aerosol physicochemical processes, a knowledge of aerosol sinks and sources, and the predicted motions of the atmosphere. These models serve a useful purpose in determining standardized aerosol spectra for utilization in radiative transfer calculations. The first numerical prediction of a Saharan dust outbreak evolution is described. It is shown that the results are in qualitative agreement with measurements despite the fact that in this preliminary simulation the generation of the dust depended upon several empirically based assumptions. IR satellite photographs taken during GATE are being examined in an attempt to determine the sources of the dust.

Westphal, Douglas L.↗

NASA NTRS2015

Development and Execution of the RUNSAFE Runway Safety Bayesian Belief Network Model

One focus area of the National Aeronautics and Space Administration (NASA) is to improve aviation safety. Runway safety is one such thrust of investigation and research. The two primary components of this runway safety research are in runway incursion (RI) and runway excursion (RE) events. These are adverse ground-based aviation incidents that endanger crew, passengers, aircraft and perhaps other nearby people or property. A runway incursion is the incorrect presence of an aircraft, vehicle or person on the protected area of a surface designated for the landing and take-off of aircraft; one class of RI events simultaneously involves two aircraft, such as one aircraft incorrectly landing on a runway while another aircraft is taking off from the same runway. A runway excursion is an incident involving only a single aircraft defined as a veer-off or overrun off the runway surface. Within the scope of this effort at NASA Langley Research Center (LaRC), generic RI, RE and combined (RI plus RE, or RUNSAFE) event models have each been developed and implemented as a Bayesian Belief Network (BBN). Descriptions of runway safety issues from the literature searches have been used to develop the BBN models. Numerous considerations surrounding the process of developing the event models have been documented in this report. The event models were then thoroughly reviewed by a Subject Matter Expert (SME) panel through multiple knowledge elicitation sessions. Numerous improvements to the model structure (definitions, node names, node states and the connecting link topology) were made by the SME panel. Sample executions of the final RUNSAFE model have been presented herein for baseline and worst-case scenarios. Finally, a parameter sensitivity analysis for a given scenario was performed to show the risk drivers. The NASA and LaRC research in runway safety event modeling through the use of BBN technology is important for several reasons. These include: 1) providing a means to clearly understand the cause and effect patterns leading to safety issues, incidents and accidents, 2) enabling the prioritization of specialty areas needing more attention to improve aviation safety, and 3) enabling the identification of gaps within NASA's Aviation Safety funding portfolio

Green, Lawrence L.↗

NASA NTRS2016

Spacecraft Dynamics Should be Considered in Kalman Filter Attitude Estimation

Kalman filter based spacecraft attitude estimation has been used in some high-profile missions and has been widely discussed in literature. While some models in spacecraft attitude estimation include spacecraft dynamics, most do not. To our best knowledge, there is no comparison on which model is a better choice. In this paper, we discuss the reasons why spacecraft dynamics should be considered in the Kalman filter based spacecraft attitude estimation problem. We also propose a reduced quaternion spacecraft dynamics model which admits additive noise. Geometry of the reduced quaternion model and the additive noise are discussed. This treatment is more elegant in mathematics and easier in computation. We use some simulation example to verify our claims.

Yang, Yaguang↗

NASA NTRS2019

Micrometeoroid Events in LISA Pathfinder

The zodiacal dust complex, a population of dust and small particles that pervades the solar system, provides important insight into the formation and dynamics of planets, comets, asteroids, and other bodies. We present a new set of data obtained from direct measurements of momentum transfer to a spacecraft from individual particle impacts. This technique is made possible by the extreme precision of the instruments flown on the LISA Pathfinder spacecraft, a technology demonstrator for a future space-based gravitational wave observatory. Pathfinder employed a technique known as drag-free control that achieved rejection of external disturbances, including particle impacts, using a micropropulsion system. Using a simple model of the impacts and knowledge of the control system, we show that it is possible to detect impacts and measure properties such as the transferred momentum, direction of travel, and location of impact on the spacecraft. In this paper, we present the results of a systematic search for impacts during 4348 hr of Pathfinder data. We report a total of 54 candidates with transferred momenta ranging from 0.2 to 230 μNs. We furthermore make a comparison of these candidates with models of micrometeoroid populations in the inner solar system, including those resulting from Jupiter-family comets (JFCs), Oort Cloud comets, Halley-type comets, and asteroids. We find that our measured population is consistent with a population dominated by JFCs, with some evidence for a smaller contribution from Halley-type comets, in agreement with consensus models of the zodiacal dust complex in the momentum range sampled by LISA Pathfinder.

Thorpe, J. I.↗