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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records

Engineering integration in elementary science classrooms: Effects of disciplinary language scaffolds on English learners' content learning and engineering identity

Abstract Background Limited research examines the effects of integrated science and engineering (SE) instruction emphasizing disciplinary literacy and language activities on engineering identity and content understanding. Far fewer studies target English learners (ELs). Purpose The impact of an SE intervention on the development of science, engineering, and technology knowledge as well as engineering identity was examined. To address ELs' learning needs, the curricular design was built on a validated SE model by integrating (1) developmental, (2) language scaffolds, and (3) culturally based accommodations. Design/Method Separate analysis of variance examined the effects of the intervention on science, engineering, and technology knowledge as well as engineering identity. The relationship among engineering identity and content outcomes was also examined. ELs from kindergarten to second grade classrooms were randomly assigned to the integrated SE group or control group. Results Integrated SE instruction significantly increased ELs' science, engineering, and technology knowledge as well as a substantially developed engineering identity. Overall, ELs' engineering identity is associated with an increase in science, engineering, and technology content knowledge. However, second grade girls' identity development was not associated with learning measures. These correlations suggest the context of the engineering activity may have reinforced gendered stereotypes and reduced the effects for girls' engineering attitudes. Conclusions Integrated SE instruction emphasizing disciplinary literacy and cultural accommodations increases early elementary ELs' learning and engineering identity. Future studies should examine the unique effects of language scaffolds and cultural modifications on student learning and the impact of gender stereotypes on girls' engineering attitudes.

Aguirre‐Muñoz, Zenaida↗

Sensitivity analysis of the effect of wind and wake characteristics on wind turbine loads in a small wind farm

Abstract. Wind turbines are designed using a set of simulations to determine the fatigue and ultimate loads, which are typically focused solely on unwaked wind turbine operation. These structural loads can be significantly influenced by the wind inflow conditions. Turbines experience altered inflow conditions when placed in the wake of upstream turbines, which can additionally influence the fatigue and ultimate loads. It is important to understand the impact of uncertainty on the resulting loads of both unwaked and waked turbines. The goal of this work is to assess which wind-inflow-related and wake-related parameters have the greatest influence on fatigue and ultimate loads during normal operation for turbines in a three-turbine wind farm. Twenty-eight wind inflow and wake parameters are screened using an elementary effects sensitivity analysis approach to identify the parameters that lead to the largest variation in the fatigue and ultimate loads of each turbine. This study uses the National Renewable Energy Laboratory (NREL) 5 MW baseline wind turbine, simulated with OpenFAST and synthetically generated inflow based on the International Electrotechnical Commission (IEC) Kaimal turbulence spectrum with the IEC exponential coherence model using the NREL tool TurbSim. The focus is on sensitivity to individual parameters, though interactions between parameters are considered, and how sensitivity differs between waked and unwaked turbines. The results of this work show that for both waked and unwaked turbines, ambient turbulence in the primary wind direction and shear are the most sensitive parameters for turbine fatigue and ultimate loads. Secondary parameters of importance for all turbines are identified as yaw misalignment, streamwise integral length, and the exponent and streamwise components of the IEC coherence model. The tertiary parameters of importance differ between waked and unwaked turbines. Tertiary effects account for up to 9.0 % of the significant events for waked turbine ultimate loads and include veer, non-streamwise components of the IEC coherence model, Reynolds stresses, wind direction, air density, and several wake calibration parameters. For fatigue loads, tertiary effects account for up to 5.4 % of the significant events and include vertical turbulence standard deviation, lateral and vertical wind integral lengths, non-streamwise components of the IEC coherence model, Reynolds stresses, wind direction, and all wake calibration parameters. This information shows the increased importance of non-streamwise wind components and wake parameters in the fatigue and ultimate load sensitivity of downstream turbines.

17 WIND ENERGY↗

BSM Sensitivity Analysis and Meta-Modeling Next Steps [Slides]

We performed a global sensitivity analysis of the Bioenergy Scenario Model (BSM), using Elementary Effects analysis to identify potentially influential factors, with a focus on sustainable aviation fuel (SAF) production. The process was iterative and informed key model changes and updates over the course of the study in addition to identifying the key model inputs that affect the cumulative production of SAF from the present through 2050. More work will be performed to gain deeper insight into the sensitivity of individual pathways as part of our larger efforts to develop a reduced-form version of the BSM.

09 BIOMASS FUELS↗

Direct sensitivity analysis on the parameterization of crystal plasticity models

Various methods for calibrating crystal plasticity finite element (CPFE) models lead to non-unique input parameter values, which subsequently introduce uncertainty in the predicted mechanical response. Sensitivity analysis (SA) conducted on crystal plasticity models is used to identify how variability in these parameters contribute to output uncertainty. Traditional SA on CPFE parameters uses simplified surrogate models to save computational time. However, the accuracy of the surrogate models depends on the quantity of training data used, and any modeling error can propagate into the SA results, potentially affecting their reliability. In this work, the elementary effects test (EET) method, a global SA technique using direct CPFE simulations was employed, and the results obtained were compared with the First Order Second Moment (FOSM) method. ExaConstit, an open-source GPU-enabled CPFE code, was used to perform the simulations and direct SA. The EET method was accurately able to capture the non-linear effects of all the input parameters on the output and is a valuable approach for reliably attributing parameter sensitivities in CPFE models. Based on the results, efficient strategies to perform future parameter calibration and SA are discussed. Additionally, the SA trends observed in different single crystal orientations closely mirrored the activity of the slip systems.

Elementary Effects Test↗

Sensitive parameter identification and uncertainty quantification for the stability of pipeline conveying fluid

In this study, several uncertainty quantification and sensitivity analysis methods are used to determine the most sensitive geometric and material input parameters of a cantilevered pipeline conveying fluid when uncertainty is introduced to the system at the onset of instability. The full nonlinear equations of motion are modeled using the extended Hamilton’s principle and then discretized using Galerkin’s method. A parametric study is first performed, and the Morris elementary effects are calculated to obtain a preliminary understanding of how the onset speed changes when each parameter is introduced to a ± 5% uncertainty. Then, four different input uncertainty distributions, mainly, uniform and Gaussian distribution, are chosen to investigate how input distributions affect uncertainty in the output. A convergence analysis is used to determine the number of samples needed to maintain simulation accuracy while saving the most computational time. Then, Monte Carlo simulations are run, and the output distributions for each input distribution at ± 1%, ± 3% and ± 5% input uncertainty range are found and discussed. Additionally, the Pearson correlation coefficients are evaluated for different uncertainty ranges. A final Monte Carlo study is performed in which single parameters are held constant while all others still have uncertainty. Overall, the flow speed at the onset of instability is the most sensitive to changes in the outer diameter of the pipe.

36 MATERIALS SCIENCE↗

Sensitivity analysis of numerical modeling input parameters on floating offshore wind turbine loads

Abstract. Floating wind turbines must withstand a unique and challenging set of loads from the wind and ocean environment. To de-risk development, accurate predictions of these loads are necessary. Uncertainty in modeling predictions leads to larger required safety factors, increasing project costs and the levelized cost of energy. Complex aero-hydro-elastic modeling tools use many input parameters to represent the wind, waves, current, aerodynamic loads, hydrodynamic loads, and structural properties. It is helpful to understand which of these parameters ultimately drives a design. In this work, an ultimate and fatigue-proxy load sensitivity analysis was performed with 35 different input parameters, using an elementary effects approach to identify the most influential parameters for a case study involving the National Renewable Energy Laboratory (NREL) 5 MW baseline wind turbine atop the OC4-DeepCwind semisubmersible during normal operation. The importance of each parameter was evaluated using 14 response quantities of interest across three operational wind speed conditions. The study concludes that turbulent wind velocity standard deviation is the parameter with the strongest sensitivity; this value is important not just for turbine loads, but also for the global system response. The system center of mass in the wind direction is found to have the highest impact on the system rotation and tower loads. The current velocity is found to be the most dominating parameter for the system global motion and consequently the mooring loads. All tested wind turbulence parameters in addition to the standard deviation are also found to be influential. Wave characteristics are influential for some fatigue-proxy loading but do not significantly impact the extreme ultimate loads in these operational load cases. The required number of random seeds for stochastic environmental conditions is considered to ensure that the sensitivities are due to the input parameters and not due to the seed. The required number of analysis points in the parameter space is identified so that the conclusions represent a global sensitivity. The results are specific to the platform, turbine, and choice of parameter ranges, but the demonstrated approach can be applied widely to guide focus in parameter uncertainty.

17 WIND ENERGY↗

Risk Importance Ranking of Fire Data Parameters to Enhance Fire PRA Model Realism

Fire is historically and analytically a significant contributor to nuclear power plant risk. The level of fire risk and the methods, tools and data for modeling this risk is highly debated by experts. One area of debate is the input data used in fire modeling and how to deal with this data’s high uncertainty. This report outlines initial work performed for determining the key parameters causing this uncertainty and how it propagates into nuclear power plant models. This research paves the way for the development of methods to reduce fire data uncertainty used in modeling. The Nuclear Regulatory Commission has mandated that nuclear power plants perform fire risk modeling. However, there are several issues with the current risk modeling implementation that affect the results. Approved modeling methods can be overly conservative and often do not match plant experience. Also, the data used in the modeling can have high uncertainties and is influenced by expert judgement. To evaluate input data uncertainty, researchers performed an initial review of several fire experiments done at Sandia National Laboratories. Uncertainties for fire data can come from many sources, such as experiment design constraints, environmental conditions, or other plant-specific aspects. There are many different significant and insignificant parameters driving the uncertainty. Additionally, the uncertainty of the different input data used in the fire modeling could have a significant or insignificant effect on the entire plant risk. A four-step methodology was developed to perform Integrated Probabilistic Risk Assessment Importance Ranking. A demonstration case using these steps was set up and three of the four steps were completed in fiscal year (FY) 2019 and the fourth step done FY 2020. These steps are: 1. The qualitative analysis of potential sources was conducted with the following items identified for the demonstration. • Maximum heat release rate • Time to maximum heat release rate • Duration of max heat release rate • Time to decay • Thermal conductivity of concrete • Specific heat of concrete • Density of concrete • Cable jacket thickness 2. A quantitative characterization of dominant sources of uncertainty was performed. A list of distributions and determined values of the dominant sources is shown in Appendix A. 3. A quantitative screening of the potential sources of uncertainty using Morris Elementary Effects Analysis was completed. An experimental model using the physics-based fire modeling tool Fire Dynamics Simulator was developed and coupled with the Risk Analysis Virtual Environment. The Morris analysis identified at least two parameters that can be eliminated as significant contributors (specific heat of concrete and cable jacket thickness). 4. Global importance measure (Global IM) analysis to generate a comprehensive ranking based on their influence on the plant risk. In this research, a moment-independent Global IM is used since it can address (a) uncertainty in the input parameters of the fire model, (b) uncertainty in the risk outputs, and (c) non-linearity and interactions among input parameters in the fire model, more accurately than the correlation-based and variance-based global methods. The observations from the research showed that, depending on the initial and boundary conditions of the fire scenarios, fire-induced damage could have a very small probability and could be dominated by the tail of the uncertainty distribution; hence, the accuracy of the correlation-based and variance-based methods is questionable. The moment-independent Global IM analysis in this research provides a better understanding of how experimental uncertainty data affects industry’s plant models and where improvements in that data will have the largest benefit for improving fire modeling accuracy in causing core damage. Among the five unscreened parameters obtained from the Morris EE analysis, the Global IM analysis results for the case study indicated that max heat release rate and fire location are the most important parameters. The report also outlines benefits of using a unified computational platform that integrates the underlying simulations (e.g., a fire progression model), quantitative screening (using the Morris EE method), and the Global IM analysis. A unified platform can (i) facilitate the ranking of input parameters considering multiple key fire scenarios simultaneously, rather than considering one scenario at a time, (ii) contribute to more explicit and accurate treatment of dependencies at multiple levels of Fire PRA, (iii) facilitate the sampling-based uncertainty quantification for Fire PRA, and (iv) help generating both “industry-wide” and "plant-specific" ranking of uncertainty sources in Fire PRA. Future research should be done to include additional parameters such as detection/suppression or cable fire spread. Adding a PRA software such as SAPHIRE to the RAVEN platform would help with plant model integration and improve treatment of fire-induced dependency. The I-PRA risk importance ranking methodology offered in this report can provide valuable information for efficiently (a) enhancing the realism of Fire PRA for existing plants and (b) supporting the development of Dynamic Fire PRA for advanced reactors and new plants.

97 MATHEMATICS AND COMPUTING↗

Efficient Iridium Catalysts for Formic Acid Dehydrogenation: Investigating the Electronic Effect on the Elementary β-Hydride Elimination and Hydrogen Formation Steps

We report herein a series of Cp*Ir complexes containing a rigid 8-aminoquinolinesulfonamide moiety as highly efficient catalysts for the dehydrogenation of formic acid (FA). The complex [Cp*Ir(L)Cl] (HL = N-(quinolin-8-yl)benzenesulfonamide) displayed a high turnover frequency (TOF) of 2.97 × 10 4 h –1 and a good stability (>100 h) at 60 °C. Comparative studies of [Cp*Ir(L)Cl] with the rigid ligand and [Cp*Ir(L')Cl] (HL' = N-propylpypridine-2-sulfonamide) without the rigid aminoquinoline moiety demonstrated that the 8-aminoquinoline moiety could dramatically enhance the stability of the catalyst. The electron-donating ability of the N,N'-chelating ligand was tuned by functionalizing the phenyl group of the L ligand with OMe, Cl, and CF 3 to have a systematical perturbation of the electronic structure of [Cp*Ir(L)Cl]. Experimental kinetic studies and density functional theory (DFT) calculations on this series of Cp*Ir complexes revealed that (i) the electron-donating groups enhance the hydrogen formation step while slowing down the β-hydride elimination and (ii) the electron-withdrawing groups display the opposite effect on these reaction steps, which in turn leads to lower optimum pH for catalytic activity compared to the electron-donating groups.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Traces of nonequilibrium effects, initial condition, bulk dynamics, and elementary collisions in the charm observables

Heavy quarks produced in relativistic heavy-ion collisions are known to be sensitive probes of the hot and dense QCD matter they traverse. In this paper we study how their dynamics is affected by the nature of the bulk evolution of the QCD matter, the initial condition of the system, and the treatment of elementary interactions between heavy quarks and the surrounding medium. For the same initial condition and the same quark-gluon plasma (QGP) expansion scenario we discuss the consequences of the assumption of a local equilibrium by comparing the consequences for the nuclear modification factor $R_{AA}$ and the elliptic flows of charm quarks, scrutinizing the different components of the final distribution of charm quarks. For this purpose we employ the parton-hadron-string dynamics (PHSD) model, which is an off-shell microscopic transport approach, as well as the linearized-Boltzmann (LB) scheme obtained by coarse graining the PHSD bulk and assuming local equilibrium for the interactions of the charm quarks with the bulk. The $R_{AA}$ of charm quarks stemming from the later LB approach is also compared to a genuine fluid dynamics evolution initiated by the coarse grained PHSD, which allows us to further assess the consequences of reducing the full $\textit{n}$-body dynamics. We then proceed to a systematic comparison of PHSD (in its LB approximation) with MC@HQ, another transport model for heavy flavors which also relies on the LB approach. In particular, we investigate the consequences for the nuclear modification factor of charm quarks if we vary separately the initial heavy quark distribution function in matter, the expansion dynamics of the QGP, and the elementary interactions of heavy quarks of these models. We find that the results for both models vary significantly depending on the details of the calculation. However, both models achieve very similar predictions for key heavy quark observables for certain combinations of initial condition, bulk evolution, and interactions. In this work, we conclude that this ambiguity limits our ability to determine the different properties of the system based on the current set of observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Position-specific carbon isotopes of Murchison amino acids elucidate extraterrestrial abiotic organic synthesis networks

The Murchison meteorite is a well-studied carbonaceous chondrite with relatively high concentrations of amino acids thought to be endogenous to the meteorite, in part because they are characterized by carbon isotope (δ 13 C) values higher than those typical of terrestrial amino acids. Past studies have proposed that extraterrestrial amino acids in the Murchison meteorite could have formed by Strecker synthesis (for α-amino acids), Michael addition (for β-amino acids), or reductive amination, but a lack of constraints have prevented confident discrimination among these possibilities, or assignment of specific formation pathways to each of several specific amino acids. Position-specific carbon isotope analysis differentiates amongst these mechanisms by relating molecular sites to isotopically distinct carbon sources and by constraining isotope effects associated with elementary chemical reactions. Prior measurements of the position-specific carbon isotopic composition of α-alanine from the Murchison CM chondrite demonstrated that alanine’s high δ 13 C VPDB value is attributable to the amine carbon (δ 13 C VPDB = +142 ± 20‰), consistent with Strecker synthesis drawing on 13 C-rich carbonyl groups in precursors (Chimiak et al., 2021). Here, we measured the δ 13 C composition of fragment ions generated by electron impact ionization of derivatized α-alanine, β-alanine, and aspartic acid from Murchison via gas chromatography-Fourier transform mass spectrometry. α-Alanine’s amine carbon yielded δ 13 C VPDB = +109 ± 21‰, which is consistent with the previously measured value and with formation from 13 C-rich precursors. β-Alanine’s amine carbon presents a lower δ 13 C VPDB = +33 ± 24‰, which supports formation from 13 C-rich precursors but potentially via a Michael addition mechanism rather than Strecker synthesis. Aspartic acid’s amine carbon has δ 13 C VPDB = -14 ± 5‰, suggesting synthesis from precursors distinct from those that generated the alanine isomers. Further, these measurements indicate that Murchison amino acids are a mixture of compounds made from different synthesis mechanisms, though some subsets likely drew on the same substrates; this conclusion highlights the complexity of extraterrestrial organic synthesis networks and the potential of emerging methods of isotope ratio analysis to elucidate the details of those networks.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-pressure CO 2 dissociation with nanosecond pulsed discharges

Herein we investigate the conversion of CO 2 into CO and O 2 with nanosecond repetitively pulsed (NRP) discharges in a high-pressure batch reactor. Stable discharges are obtained at up to 12 bar. By-products are measured with gas chromatography. The energy efficiency is determined for a range of processing times, pulse energy, and fill pressures. It is only weakly sensitive to the plasma operating parameters, i.e the extent of CO 2 conversion is almost linearly-dependent on the specific energy invested. A conversion rate as high as 14% is achieved with an energy efficiency of 23%. For long processing times, saturation in the yield and a drop in efficiency are observed, due to the increasing role of three-body recombination reactions, as described by zero-dimensional detailed kinetic modeling. The modeling reveals the presence of three-stage kinetics between NRP pulses, controlled by electron-impact CO 2 dissociation, vibrational relaxation, and neutral elementary kinetics. Transport effects are shown to be important for CO 2 conversion at high pressures. For fill pressures beyond 10 bar, CO 2 may locally transit into supercritical states. The supercritical plasma kinetics may bypass atomic oxygen pathways and directly convert CO 2 into O 2 . This work provides a detailed analysis of plasma-based high-pressure CO 2 conversion, which is of great relevance to future large-scale sustainable carbon capture, utilization, and storage.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Classical dynamics of vortex solitons from perturbative scattering amplitudes

Abstract We introduce a novel point-particle effective description of ANO vortex solitons in the critical Abelian Higgs Model (AHM) ind= 2 + 1 based on the small winding expansion. Identifying the effective vortices with the elementary quanta of a complex scalar field, relativistic vortex-vortex scattering amplitudes are calculated as a diagrammatic, perturbative expansion in the winding numberN. Making use of powerful techniques recently developed for analyzing the post-Minkowskian two-body problem in general relativity, we efficiently extract the contribution to the loop integrals from the classical potential region, with the resulting velocity expansion subsequently resummed to all orders. The main result of this paper is an analytic expression for the classical, vortex-vortex potential at$$ \mathcal{O} $$ O (N 2 ), or one-loop, with exact velocity dependence. By truncating the resulting effective Hamiltonian at$$ \mathcal{O} $$ O (p 2 ) we derive an analytic, perturbative expression for the metric on the 2-vortex moduli space. Finally, the emergence of the critical AHM from the classical limit of the$$ \mathcal{N} $$ N = 2 supersymmetric AHM, and the resulting constraints on the point-particle EFT is described in detail using an on-shell superspace construction for BPS states ind= 2 + 1.

Physics↗

Quantum simulation of boson-related Hamiltonians: techniques, effective Hamiltonian construction, and error analysis

Elementary quantum mechanics proposes that a closed physical system consistently evolves in a reversible manner. However, control and readout necessitate the coupling of the quantum system to the external environment, subjecting it to relaxation and decoherence. Consequently, system-environment interactions are indispensable for simulating physically significant theories. A broad spectrum of physical systems in condensed-matter and high-energy physics, vibrational spectroscopy, and circuit and cavity QED necessitates the incorporation of bosonic degrees of freedom, such as phonons, photons, and gluons, into optimized fermion algorithms for near-future quantum simulations. In particular, when a quantum system is surrounded by an external environment, its basic physics can usually be simplified to a spin or fermionic system interacting with bosonic modes. Nevertheless, troublesome factors such as the magnitude of the bosonic degrees of freedom typically complicate the direct quantum simulation of these interacting models, necessitating the consideration of a comprehensive plan. This strategy should specifically include a suitable fermion/boson-to-qubit mapping scheme to encode sufficiently large yet manageable bosonic modes, and a method for truncating and/or downfolding the Hamiltonian to the defined subspace for performing an approximate but highly accurate simulation, guided by rigorous error analysis. In this pedagogical tutorial review, we aim to provide such an exhaustive strategy, focusing on encoding and simulating certain bosonic-related model Hamiltonians, inclusive of their static properties and time evolutions. Specifically, we emphasize two aspects: (1) the discussion of recently developed quantum algorithms for these interacting models and the construction of effective Hamiltonians, and (2) a detailed analysis regarding a tightened error bound for truncating the bosonic modes for a class of fermion-boson interacting Hamiltonians.

bosonic Hamiltonian↗

Effectiveness and Long-Term Effects of SER+ FELIZ(mente): A School-Based Mindfulness Program for Portuguese Elementary Students

School-based mindfulness programs (SBMPs) have gained global popularity. Yet, there is a need for more rigorous procedures to develop and assess them. This study aimed to address these limitations by examining the effectiveness of a Portuguese SBMP, called SER + FELIZ(mente). The final sample included 190 third and fourth-graders: 99 in the SBMP group and 91 in a wait-list group. Effects on attentional control, emotional regulation and wellbeing were examined in the short term (T2) and 6 months later (T3). We also tested the moderating role of age, gender, and baseline scores. Using a multilevel modeling approach, results showed a clear benefit of SBMP on emotional wellbeing at T2 but not T3. Despite SBMP students surpassing wait-list students in attentional control, cognitive reappraisal, and social wellbeing at T2, these effects were due to a levelling off among SBMP students, coupled with a decline among wait-list students from T1 to T2. These effects were moderated by age at T3. While universal improvements were limited, our SBMP seemed to have acted as a shield against school stressors (i.e., likely, test anxiety at T2). This opens a new avenue for research concerning the role of SBMPs in preventing (rather than repairing) mental-health issues in elementary students.

Magalhães, Sofia↗

Modulating Transition Metal Reactivity with Force

The reactivity and selectivity of a transition metal catalyst is intimately related to its ligand-sphere geometry, and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another. For this reason, methods for reversibly modulating ligand geometry on the time scale of catalytic turnover or monomer enchainment are highly desirable. Mechanical force represents a heretofore untapped approach to modulate catalyst geometry and/or reactivity, with the potential to do so on the timescale of catalytic turnover or monomer enchainment. Macroscopic mechanical forces are large, directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. Here, in this Concept, we describe our efforts to address the fundamental challenges associated with force-modulated transition metal catalysis by employing molecular force probe ligands comprising a stiff stilbene photoswitch tethered to rotationally flexible biaryl bisphosphine ligand. Our efforts to date include the modulation of catalytic activity through force-mediated ligand perturbations, quantification of the force-coupled ligand effects on the energetics of elementary organometallic transformations, and evaluation of the mechanisms of force transduction in these systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Methanol oxidation up to 100 atm in a supercritical pressure jet-stirred reactor

Methanol (CH 3 OH) has attracted considerable attention as a renewable fuel or fuel additive with low greenhouse gas emissions. Methanol oxidation was studied using a recently developed supercritical pressure jet-stirred reactor (SP-JSR) at pressures of 10 and 100 atm, at temperatures from 550 to 950 K, and at equivalence ratios of 0.1, 1.0, and 9.0 in experiments and simulations. Here, the experimental results show that the onset temperature of CH 3 OH oxidation at 100 atm is around 700 K, which is more than 100 K lower than the onset at 10 atm and this trend cannot be predicted by the existing kinetics models. Furthermore, a negative temperature coefficient (NTC) behavior was clearly observed at 100 atm at fuel rich conditions for methanol for the first time. To understand the observed temperature shift in the reactivity and the NTC effect, we updated some key elementary reaction rates of relevance to high pressure CH 3 OH oxidation from the literature and added some new low-temperature reaction pathways such as CH 2 O + HO 2 = HOCH 2 O 2 (RO 2 ), RO 2 + RO 2 = HOCH 2 O (RO) + HOCH 2 O (RO) + O 2 , and CH 3 OH + RO 2 = CH 2 OH + HOCH 2 O 2 H (ROOH). Although the model with these updates improves the prediction somewhat for the experimental data at 100 atm and reproduces well high-temperature ignition delay times and laminar flame speed data in the literature, discrepancies still exist for some aspects of the 100 atm low-temperature oxidation data. In addition, it was found that the pressure-dependent HO 2 chemistry shifts to lower temperature as the pressure increases such that the NTC effect at fuel-lean conditions is suppressed. Therefore, as shown in the experiments, the NTC phenomenon was only observed at the fuel-rich condition where fuel radicals are abundant and the HO 2 chemistry at high pressure is weakened by the lack of oxygen resulting in comparatively little HO 2 formation.

33 ADVANCED PROPULSION SYSTEMS↗

Bubble departure and sliding in high-pressure flow boiling of water

Bubble growth, departure and sliding in low-pressure flow boiling has received considerable attention in the past. However, most applications of boiling heat transfer rely on high-pressure flow boiling, for which very little is known, as experimental data are scarce and very difficult to obtain. In this work, we conduct an experiment using high-resolution optical techniques. By combining backlit shadowgraphy and phase-detection imaging, we track bubble shape and physical footprint with high spatial ($6\,\mathrm {\mu }{\rm m}$) and temporal ($33\,\mathrm {\mu }{\rm s}$) resolutions, as well as bubble size and position as bubbles nucleate and slide on top of the heated surface. We show that at pressures above 1 MPa bubbles retain a spherical shape throughout the growth and sliding process. We analytically derive non-dimensional numbers to correlate bubble velocity and liquid velocity throughout the turbulent boundary layer and predict the sliding of bubbles on the surface, solely from physical properties and the bubble growth rate. We also show that these non-dimensional solutions can be leveraged to formulate elementary criteria that predict the effect of pressure and flow rate on bubble departure diameter and growth time.

Mechanics↗