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DOE OSTI2025

Global Simulations of Phase State and Equilibration Time Scales of Secondary Organic Aerosols with GEOS-Chem

The phase state of secondary organic aerosols (SOA) can range from liquid through amorphous semisolid to glassy solid, which is important to consider as it influences various multiphase processes including SOA formation and partitioning, multiphase chemistry, and cloud activation. In this study, we simulate the glass transition temperature and viscosity of SOA over the globe using the global chemical transport model, GEOS-Chem. The simulated spatial distributions show that SOA at the surface exist as liquid over equatorial regions and oceans, semisolid in the midlatitude continental regions, and glassy solid over lands with low relative humidity. The predicted SOA viscosities are mostly consistent with the available measurements. In the free troposphere, SOA particles are mostly predicted to be semisolid at 850 hPa and glassy solid at 500 hPa, except over tropical regions including Amazonia, where SOA are predicted to be low viscous. Phase state also exhibits seasonal variation with a higher frequency of semisolid and solid particles in winter compared to warmer seasons. We calculate equilibration time scales of SOA partitioning (τ eq ) and effective mass accommodation coefficient (α eff ), indicating that τ eq is shorter than the chemical time step of GEOS-Chem of 20 min and αeff is close to unity for most locations at the surface level, supporting the application of equilibrium SOA partitioning. However, τ eq is prolonged and α eff is lowered over drylands and most regions in the upper troposphere, suggesting that kinetically limited growth would need to be considered for these regions in future large-scale model studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Sensitivity of Simulated Aerosol Properties Over Eastern North America to WRF-Chem Parameterizations

Aerosol properties and their climatic feedbacks are characterized by high uncertainty in both global and regional model simulations. We explore sources of uncertainty in the representation of aerosol properties using an ensemble of simulations performed at 24 km resolution with WRF-Chem over eastern North America. The sensitivity of aerosol optical depth (AOD) and near-surface fine particle concentrations (PM 2.5 ) to planetary boundary layer (PBL) and aerosol schemes (modal with secondary organic aerosol (SOA) versus sectional but excluding SOA), as well as different emission inventories (National Emission Inventory (NEI) 2005 versus 2011) is examined. Here, we quantify the spread among ensemble members with respect to the model setup and compute statistical metrics to identify the run configuration that exhibits greatest fidelity relative to observations of aerosol and meteorological properties. Use of the Modal Aerosol Dynamics Model for Europe/Secondary Organic Aerosol Model scheme leads to highest agreement with MODIS clear-sky AOD observations particularly when the 2005 NEI is used (with either PBL scheme). These members exhibit small negative mean fractional bias over the simulation domain (<2%), and relatively high spatial correlation in summertime mean monthly AOD (>0.5). The aerosol scheme and NEI dominate the ensemble spread in AOD. Near-surface PM 2.5 is also dependent on PBL scheme and is best reproduced in runs adopting a sectional approach and emissions for 2011. Thus, WRF-Chem configuration associated with highest agreement with AOD observations is not the same as for PM 2.5 , possibly reflecting the importance of columnar water vapor in dictating AOD.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2019

Impact of light-absorbing particles on snow albedo darkening and associated radiative forcing over high-mountain Asia: high-resolution WRF-Chem modeling and new satellite observations

Light-absorbing particles (LAPs), mainly dust and black carbon, can significantly impact snowmelt and regional water availability over high-mountain Asia (HMA). In this study, for the first time, online aerosol–snow interactions are enabled and a fully coupled chemistry Weather Research and Forecasting (WRF-Chem) regional model is used to simulate LAP-induced radiative forcing on snow surfaces in HMA at relatively high spatial resolution (12 km, WRF-HR) compared with previous studies. Simulated macro- and microphysical properties of the snowpack and LAP-induced snow darkening are evaluated against new spatially and temporally complete datasets of snow-covered area, grain size, and impurity-induced albedo reduction over HMA. A WRF-Chem quasi-global simulation with the same configuration as WRF-HR buta coarser spatial resolution (1°, WRF-CR) is also used to illustrate the impact of spatial resolution on simulations of snow properties and aerosol distribution over HMA. Due to a more realistic representation of terrain slopes over HMA, the higher-resolution model (WRF-HR) shows significantly better performance in simulating snow area cover, duration of snow cover, snow albedo and snow grain size over HMA, as well as an evidently better atmospheric aerosol loading and mean LAP concentration in snow. However, the differences in albedo reduction from model and satellite retrievals is large during winter due to associated overestimation in simulated snow fraction. It is noteworthy that Himalayan snow cover has high magnitudes of LAP-induced snow albedo reduction (4% - 8%) in pre-monsoon seasons (both from WRF-HR and satellite estimates), which induces a snow-mediated radiative forcing of ~30-50 W m -2 . As a result, the Himalayas (specifically the western Himalayas) hold the most vulnerable glaciers and mountain snowpack to the LAP-induced snow darkening effect within HMA. In summary, coarse spatial resolution and absence of snow–aerosol interactions over the Himalayan cryosphere will result insignificant underestimation of aerosol effects on snow melting and regional hydroclimate.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Simulation of radon-222 with the GEOS-Chem global model: Emissions, seasonality, and convective transport

Radon-222 (222Rn) is a short-lived radioactive gas naturally emitted from land surface, and has long been used to assess convective transport in atmospheric models. In this study, we simulate 222Rn using the GEOS-Chem chemical transport model with aims to improve our understanding of 222Rn emissions and surface concentration seasonality, and to characterize convective transport associated with two Goddard Earth Observing System (GEOS) meteorological products, MERRA and GEOS-FP. We evaluate four available 222Rn emission scenarios by comparing model results with surface observations at 51 global surface sites. The default emission scenario in GEOS-Chem yields a moderate agreement with global surface observations (< 70% data within a factor of 2) and a large underestimate of wintertime surface 222Rn concentrations at Northern Hemisphere mid- and high-latitudes due to an oversimplified formulation of 222Rn emission fluxes (1 atom cm-2 s-1 over land with a reduction by a factor of 3 under freezing conditions). We compose a new global 222Rn emission scenario based on Zhang et al. (2011) and show its potential to improve simulated surface 222Rn concentrations and seasonality. The regional components of this emission scenario include spatially and temporally varying emission fluxes derived from previous measurements of soil radium content and soil exhalation models, which are key factors to 222Rn emission flux rates. However, large model underestimates of surface 222Rn concentrations still exist in Asia, suggesting unusually high regional 222Rn emissions. We propose a conservative up-scaling factor of 1.2 for 222Rn emission fluxes in China, as also constrained by the observed deposition fluxes of 210Pb (decay daughter of 222Rn). With this modification, the model shows better agreement with the observations in Europe and North America (>80% data within a factor of 2), and reasonable agreement in Asia (close to 70%). Further constraints on 222Rn emissions would require additional observations of surface 222Rn concentrations and emission fluxes in central U.S., Canada, Africa, and Asia. We also compare and assess convective transport in model simulations driven by MERRA and GEOS-FP using observed 222Rn vertical profiles during northern mid-latitude summertime and from two short-term airborne campaigns. While the simulations with both GEOS products are able to capture the observed vertical gradient of 222Rn concentrations in the lower troposphere (0-4 km), neither correctly represents the level of convective detrainment, resulting in biases in the middle and upper troposphere. Compared to GEOS-FP, MERRA leads to stronger convective transport of 222Rn, which is partially compensated by its weaker large-scale vertical advection, resulting in similar global vertical distributions of 222Rn concentrations between the two simulations.

Zhang, Bo↗

DOE OSTI2019

A simplified parameterization of isoprene-epoxydiol-derived secondary organic aerosol (IEPOX-SOA) for global chemistry and climate models: a case study with GEOS-Chem v11-02-rc

Secondary organic aerosol derived from isoprene epoxydiols (IEPOX-SOA) is thought to contribute the dominant fraction of total isoprene SOA, but the current volatility-based lumped SOA parameterizations are not appropriate to represent the reactive uptake of IEPOX onto acidified aerosols. A full explicit modeling of this chemistry is however computationally expensive owing to the many species and reactions tracked, which makes it difficult to include it in chemistry–climate models for long-term studies. Here we present three simplified parameterizations (version 1.0) for IEPOX-SOA simulation, based on an approximate analytical/fitting solution of the IEPOX-SOA yield and formation timescale. The yield and timescale can then be directly calculated using the global model fields of oxidants, NO, aerosol pH and other key properties, and dry deposition rates. The advantage of the proposed parameterizations is that they do not require the simulation of the intermediates while retaining the key physicochemical dependencies. We have implemented the new parameterizations into the GEOS-Chem v11-02-rc chemical transport model, which has two empirical treatments for isoprene SOA (the volatility-basis-set, VBS, approach and a fixed 3% yield parameterization), and compared all of them to the case with detailed fully explicit chemistry. The best parameterization (PAR3) captures the global tropospheric burden of IEPOX-SOA and its spatiotemporal distribution ( R 2 =0.94 ) vs. those simulated by the full chemistry, while being more computationally efficient ( ~5 times faster), and accurately captures the response to changes in NO x and SO 2 emissions. On the other hand, the constant 3 % yield that is now the default in GEOS-Chem deviates strongly ( R 2 =0.66 ), as does the VBS ( R 2 =0.47 , 49% underestimation), with neither parameterization capturing the response to emission changes. With the advent of new mass spectrometry instrumentation, many detailed SOA mechanisms are being developed, which will challenge global and especially climate models with their computational cost. The methods developed in this study can be applied to other SOA pathways, which can allow including accurate SOA simulations in climate and global modeling studies in the future.

58 GEOSCIENCES↗

DOE OSTI2022

Simulations of aerosol pH in China using WRF-Chem (v4.0): sensitivities of aerosol pH and its temporal variations during haze episodes

Aerosol pH is a fundamental property of aerosols in terms of atmospheric chemistry and its impact on air quality, climate, and health. Precise estimation of aerosol pH in chemical transport models (CTMs) is critical for aerosol modeling and thus influences policy development that partially relies on results from model simulations. We report the Weather Research and Forecasting Model coupled with Chemistry (WRF-Chem) simulated PM 2.5 pH over China during a period with heavy haze episodes in Beijing, and explore the sensitivity of the modeled aerosol pH to factors including emissions of nonvolatile cations (NVCs) and NH 3 , aerosol phase state assumption, and heterogeneous production of sulfate. We find that default WRF-Chem could predict spatial patterns of PM 2.5 pH over China similar to other CTMs, but with generally lower pH values, largely due to the underestimation of alkaline species (NVCs and NH 3 ) and the difference in thermodynamic treatments between different models. Increasing NH 3 emissions in the model would improve the modeled pH in comparison with offline thermodynamic model calculations of pH constrained by observations. In addition, we find that the aerosol phase state assumption and heterogeneous sulfate production are important in aerosol pH predictions for regions with low relative humidity (RH) and high anthropogenic SO 2 emissions, respectively. These factors should be better constrained in model simulations of aerosol pH in the future. Analysis of the modeled temporal trend of PM 2.5 pH in Beijing over a haze episode reveals a clear decrease in pH from 5.2 ± 0.9 in a clean period to 3.6 ± 0.5 in a heavily polluted period. The increased acidity under more polluted conditions is largely due to the formation and accumulation of secondary species including sulfuric acid and nitric acid, even though being modified by alkaline species (NVCs, NH 3 ). Our result suggests that NO 2 oxidation is unlikely to be important for heterogeneous sulfate production during the Beijing haze as the effective pH for NO 2 oxidation of S(IV) is at a higher pH of ~6.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Gaseous Chemistry and Aerosol Mechanism Developments for Version 3.5.1 of the Online Regional Model, WRF-Chem

We have made a number of developments in the regional coupled model WRF-Chem, with the aim of making the model more suitable for prediction of atmospheric composition and of interactions between air quality and weather. We have worked on the European domain, with a particular focus on making the model suitable for the study of night time chemistry and oxidation by the nitrate radical in the UK atmosphere. A reduced form of the Common Reactive Intermediates gas-phase chemical mechanism (CRIv2-R5) has been implemented to enable more explicit simulation of VOC degradation. N2O5 heterogeneous chemistry has been added to the existing sectional MOSAIC aerosol module, and coupled to both the CRIv2-R5 and existing CBM-Z gas phase scheme. Modifications have also been made to the sea-spray aerosol emission representation, allowing the inclusion of primary organic material in sea-spray aerosol. Driven by appropriate emissions, wind fields and chemical boundary conditions, implementation of the different developments is illustrated in order to demonstrate the impact that these changes have in the North-West European domain. These developments are now part of the freely available WRF-Chem distribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Implementing marine organic aerosols into the GEOS-Chem model

Marine-sourced organic aerosols (MOAs) have been shown to play an important role in tropospheric chemistry by impacting surface mass, cloud condensation nuclei, and ice nuclei concentrations over remote marine and coastal regions. In this work, an online marine primary organic aerosol emission parameterization, designed to be used for both global and regional models, was implemented into the GEOS-Chem (Global Earth Observing System Chemistry) model. The implemented emission scheme improved the large underprediction of organic aerosol concentrations in clean marine regions (normalized mean bias decreases from -79% when using the default settings to -12% when marine organic aerosols are added). Model predictions were also in good agreement (correlation coefficient of 0.62 and normalized mean bias of -36%) with hourly surface concentrations of MOAs observed during the summertime at an inland site near Paris, France. Our study shows that MOAs have weaker coastal-to-inland concentration gradients than sea-salt aerosols, leading to several inland European cities having >10% of their surface submicron organic aerosol mass concentration with a marine source. The addition of MOA tracers to GEOS-Chem enabled us to identify the regions with large contributions of freshly emitted or aged aerosol having distinct physicochemical properties, potentially indicating optimal locations for future field studies.

Gantt, B.↗

DOE OSTI2016

Trans-Pacific transport and evolution of aerosols: Evaluation of quasi-global WRF-Chem simulation with multiple observations

A fully coupled meteorology-chemistry model (WRF-Chem, the Weather Research and Forecasting model coupled with chemistry) has been configured to conduct quasi-global simulation for 5 years (2010–2014) and evaluated with multiple observation data sets for the first time. The evaluation focuses on the simulation over the trans-Pacific transport region using various reanalysis and observational data sets for meteorological fields and aerosol properties. The simulation generally captures the overall spatial and seasonal variability of satellite retrieved aerosol optical depth (AOD) and absorbing AOD (AAOD) over the Pacific that is determined by the outflow of pollutants and dust and the emissions of marine aerosols. The assessment of simulated extinction Ångström exponent (EAE) indicates that the model generally reproduces the variability of aerosol size distributions as seen by satellites. In addition, the vertical profile of aerosol extinction and its seasonality over the Pacific are also well simulated. The difference between the simulation and satellite retrievals can be mainly attributed to model biases in estimating marine aerosol emissions as well as the satellite sampling and retrieval uncertainties. Compared with the surface measurements over the western USA, the model reasonably simulates the observed magnitude and seasonality of dust, sulfate, and nitrate surface concentrations, but significantly underestimates the peak surface concentrations of carbonaceous aerosol likely due to model biases in the spatial and temporal variability of biomass burning emissions and secondary organic aerosol (SOA) production. A sensitivity simulation shows that the trans-Pacific transported dust, sulfate, and nitrate can make significant contribution to surface concentrations over the rural areas of the western USA, while the peaks of carbonaceous aerosol surface concentrations are dominated by the North American emissions. Both the retrievals and simulation show small interannual variability of aerosol characteristics for 2010–2014 averaged over three Pacific sub-regions. Furthermore, the evaluation in this study demonstrates that the WRF-Chem quasi-global simulation can be used for investigating trans-Pacific transport of aerosols and providing reasonable inflow chemical boundaries for the western USA, allowing one to further understand the impact of transported pollutants on the regional air quality and climate with high-resolution nested regional modeling.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Representation of the Community Earth System Model (CESM1) CAM4-chem within the Chemistry-Climate Model Initiative (CCMI)

The Community Earth System Model (CESM1) CAM4-chem has been used to perform the Chemistry Climate Model Initiative (CCMI) reference and sensitivity simulations. In this model, the Community Atmospheric Model version 4 (CAM4) is fully coupled to tropospheric and stratospheric chemistry. Details and specifics of each configuration, including new developments and improvements are described. CESM1 CAM4-chem is a low-top model that reaches up to approximately 40 km and uses a horizontal resolution of 1.9° latitude and 2.5° longitude. For the specified dynamics experiments, the model is nudged to Modern-Era Retrospective Analysis for Research and Applications (MERRA) reanalysis. We summarize the performance of the three reference simulations suggested by CCMI, with a focus on the last 15 years of the simulation when most observations are available. Comparisons with selected data sets are employed to demonstrate the general performance of the model. We highlight new data sets that are suited for multi-model evaluation studies. Most important improvements of the model are the treatment of stratospheric aerosols and the corresponding adjustments for radiation and optics, the updated chemistry scheme including improved polar chemistry and stratospheric dynamics and improved dry deposition rates. These updates lead to a very good representation of tropospheric ozone within 20 % of values from available observations for most regions. In particular, the trend and magnitude of surface ozone is much improved compared to earlier versions of the model. Furthermore, stratospheric column ozone of the Southern Hemisphere in winter and spring is reasonably well represented. In conclusion, all experiments still underestimate CO most significantly in Northern Hemisphere spring and show a significant underestimation of hydrocarbons based on surface observations.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1987

Reduction and scientific analysis of data from the charge-energy-mass (CHEM) spectrometer on the AMPTE/CCE spacecraft

The Charge-Energy-Mass (CHEM) spectrometer instrument on the AMPTE/Charge Composition Explorer (CCE) spacecraft is designed to measure the mass and charge-state abundance of magnetospheric and magnetosheath ions between 0.3 and 315 keV/e, an energy range that includes the bulk of the ring current and the dynamically important portion of the plasma sheet population. Continuing research is being conducted using the AMPTE mission data set, and in particular, that of the CHEM spectrometer which has operated flawlessly since launch and still provides excellent quality data. The requirted routine data processing and reduction, and software develpment continues to be performed. Scientific analysis of composition data in a number of magnetospheric regions including the ring current region, near-earth plasma sheet and subsolar magnetosheath continues to be undertaken. Correlative studies using data from the sister instrument SULEICA, which determines the mass and charge states of ions in the energy range of approximately 10 to 250 keV/e on the IRM, as well as other data from the CCE and IRM spacecraft, particularly in the upstream region and plasma sheet have also been undertaken.

Gloeckler, G.↗

NASA NTRS2000

Towards a Comprehensive Dynamic-chemistry Assimilation for Eos-Chem: Plans and Status in NASA's Data Assimilation Office

In order to support the EOS-Chem project, a comprehensive assimilation package for the coupled chemical-dynamical system is being developed by the Data Assimilation Office at NASA GSFC. This involves development of a coupled chemistry/meteorology model and of data assimilation techniques for trace species and meteorology. The model is being developed using the flux-form semi-Lagrangian dynamical core of Lin and Rood, the physical parameterizations from the NCAR Community Climate Model, and atmospheric chemistry modules from the Atmospheric Chemistry and Dynamics branch at NASA GSFC. To date the following results have been obtained: (i) multi-annual simulations with the dynamics-radiation model show the credibility of the package for atmospheric simulations; (ii) initial simulations including a limited number of middle atmospheric trace gases reveal the realistic nature of transport mechanisms, although there is still a need for some improvements. Samples of these results will be shown. A meteorological assimilation system is currently being constructed using the model; this will form the basis for the proposed meteorological/chemical assimilation package. The latter part of the presentation will focus on areas targeted for development in the near and far terms, with the objective of Providing a comprehensive assimilation package for the EOS-Chem science experiment. The first stage will target ozone assimilation. The plans also encompass a reanalysis (ReSTS) for the 1991-1995 period, which includes the Mt. Pinatubo eruption and the time when a large number of UARS observations were available. One of the most challenging aspects of future developments will be to couple theoretical advances in tracer assimilation with the practical considerations of a real environment and eventually a near-real-time assimilation system.

Pawson, Steven↗

NASA NTRS2000

The EOS-CHEM Mission

The EOS-CHEM Mission is currently scheduled for launch in late 2002. The payload consists of four instruments: a microwave limb sounder, MLS, an infrared limb sounder, HIRDLS, an infrared nadir and limb Fourier transform spectrometer, TES, and a UV backscatter sounder, OMI, The science objectives of the CHEM mission will be discussed as well as the observing strategies. The limb instruments are designed to make near coincidental measurements of the same air mass thus providing a nearly complete assessment of key stratospheric trace gases. The nadir instruments will provide the first global measurements of tropospheric ozone and the tropospheric ozone residual.

Schoeberl, Mark↗

NASA NTRS2006

Accuracy Quantification of the Loci-CHEM Code for Chamber Wall Heat Transfer in a GO2/GH2 Single Element Model Problem

All solutions with Loci-CHEM achieved demonstrated steady state and mesh convergence. Preconditioning had no effect on solution accuracy and typically yields a 3-5times solution speed-up. The SST turbulence model has superior performance, relative to the data in the head end region, for the rise rate and peak heat flux. It was slightly worse than the others in the downstream region where all over-predicted the data by 30-100%.There was systematic mesh refinement in the unstructured volume and structured boundary layer areas produced only minor solution differences. Mesh convergence was achieved. Overall, Loci-CHEM satisfactorily predicts heat flux rise rate and peak heat flux and significantly over predicts the downstream heat flux.

West, Jeff↗

NASA NTRS2006

Accuracy Quantification of the Loci-CHEM Code for Chamber Wall Heat Transfer in a GO2/GH2 Single Element Injector Model Problem

A robust rocket engine combustor design and development process must include tools which can accurately predict the multi-dimensional thermal environments imposed on solid surfaces by the hot combustion products. Currently, empirical methods used in the design process are typically one dimensional and do not adequately account for the heat flux rise rate in the near-injector region of the chamber. Computational Fluid Dynamics holds promise to meet the design tool requirement, but requires accuracy quantification, or validation, before it can be confidently applied in the design process. This effort presents the beginning of such a validation process for the Loci-CHEM CFD code. The model problem examined here is a gaseous oxygen (GO2)/gaseous hydrogen (GH2) shear coaxial single element injector operating at a chamber pressure of 5.42 MPa. The GO2/GH2 propellant combination in this geometry represents one the simplest rocket model problems and is thus foundational to subsequent validation efforts for more complex injectors. Multiple steady state solutions have been produced with Loci-CHEM employing different hybrid grids and two-equation turbulence models. Iterative convergence for each solution is demonstrated via mass conservation, flow variable monitoring at discrete flow field locations as a function of solution iteration and overall residual performance. A baseline hybrid was used and then locally refined to demonstrate grid convergence. Solutions were obtained with three variations of the k-omega turbulence model.

West, Jeff↗

NASA NTRS2006

Use, Assessment, and Improvement of the Loci-CHEM CFD Code for Simulation of Combustion in a Single Element GO2/GH2 Injector and Chamber

This document is a viewgraph presentation of a paper that documents a continuing effort at Marshall Space Flight Center (MSFC) to use, assess, and continually improve CFD codes to the point of material utility in the design of rocket engine combustion devices. This paper describes how the code is presently being used to simulate combustion in a single element combustion chamber with shear coaxial injectors using gaseous oxygen and gaseous hydrogen propellants. The ultimate purpose of the efforts documented is to assess and further improve the Loci-CHEM code and the implementation of it. Single element shear coaxial injectors were tested as part of the Staged Combustion Injector Technology (SCIT) program, where detailed chamber wall heat fluxes were measured. Data was taken over a range of chamber pressures for propellants injected at both ambient and elevated temperatures. Several test cases are simulated as part of the effort to demonstrate use of the Loci-CHEM CFD code and to enable us to make improvements in the code as needed. The simulations presented also include a grid independence study on hybrid grids. Several two-equation eddy viscosity low Reynolds number turbulence models are also evaluated as part of the study. All calculations are presented with a comparison to the experimental data. Weaknesses of the code relative to test data are discussed and continuing efforts to improve the code are presented.

Westra, Douglas G.↗

NASA NTRS2006

Accuracy Quantification of the Loci-CHEM Code for Chamber Wall Heat Fluxes in a G02/GH2 Single Element Injector Model Problem

A robust rocket engine combustor design and development process must include tools which can accurately predict the multi-dimensional thermal environments imposed on solid surfaces by the hot combustion products. Currently, empirical methods used in the design process are typically one dimensional and do not adequately account for the heat flux rise rate in the near-injector region of the chamber. Computational Fluid Dynamics holds promise to meet the design tool requirement, but requires accuracy quantification, or validation, before it can be confidently applied in the design process. This effort presents the beginning of such a validation process for the Loci- CHEM CPD code. The model problem examined here is a gaseous oxygen (GO2)/gaseous hydrogen (GH2) shear coaxial single element injector operating at a chamber pressure of 5.42 MPa. The GO2/GH2 propellant combination in this geometry represents one the simplest rocket model problems and is thus foundational to subsequent validation efforts for more complex injectors. Multiple steady state solutions have been produced with Loci-CHEM employing different hybrid grids and two-equation turbulence models. Iterative convergence for each solution is demonstrated via mass conservation, flow variable monitoring at discrete flow field locations as a function of solution iteration and overall residual performance. A baseline hybrid grid was used and then locally refined to demonstrate grid convergence. Solutions were also obtained with three variations of the k-omega turbulence model.

West, Jeff↗

NASA NTRS2007

CHEM-Based Self-Deploying Planetary Storage Tanks

A document proposes self-deploying storage tanks, based on the cold elastic hibernated memory (CHEM) concept, to be used on remote planets. The CHEM concept, described in previous NASA Tech Briefs articles, involves the use of open-cell shape-memory-polymer (SMP) foam sandwich structures to make lightweight, space-deployable structures that can be compressed for storage and can later be expanded, then rigidified for use. A tank according to the proposal would be made of multiple SMP layers (of which at least one could be an SMP foam). The tank would be fabricated at full size in the rigid, deployed condition at ambient temperature, the SMP material(s) having been chosen so that ambient temperature would be below the SMP glass-transition temperature (T(sub g)). The tank would then be warmed to a temperature above T(sub g), where it would be compacted and packaged, then cooled to below T(sub g) and kept there during launch and transport to a distant planet. At the assigned position on the planet, the compacted tank would be heated above T(sub g) by the solar radiation making it rebound to its original size and shape. Finally, the tank would be rigidified through natural cooling to below T(sub g) in the planetary ambient environment.

Sokolowski, Witold↗