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At least 595 records · Page 33

CO oxidation on h-BN supported Au atom

The mechanism of CO oxidation by O{sub 2} on Au atoms supported on the pristine and defected hexagonal boron nitride (h-BN) surface has been studied theoretically using density functional theory. It is found that O{sub 2} binds stronger than CO on an Au atom supported on the defect free h-BN surface and h-BN surface with nitrogen vacancy (V{sub N}-h-BN), but weaker than CO on a free Au atom or Au trapped by a boron vacancy (V{sub B}-h-BN). The excess of the positive or negative charge on Au can considerably change its catalytic properties and enhance activation of the adsorbed O{sub 2}. Coadsorption of CO and O{sub 2} on Au, Au/V{sub N}-h-BN, and Au/V{sub B}-h-BN results in additional charge transfer to O{sub 2}. Various pathways of the CO oxidation reaction by molecular oxygen are studied. We found two different pathways for CO oxidation: a two-step pathway where two CO{sub 2} molecules are formed independently, and a self-promotion pathway where oxidation of the first CO molecule is promoted by the second CO molecule. Interaction of Au with the defect-free and defected h-BN surface considerably affects the CO oxidation reaction pathways and barriers. Therefore, Au supported on the h-BN surface (pristine or defected) cannot be considered as pseudo-free atom and support effects have to be taken into account, even when the interaction of Au with the support is weak.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A pulsed eddy current probe for inspection of support plates from within Alloy-800 steam generator tubes

Support plate degradation and fouling in nuclear steam generators (SGs) can lead to SG tube corrosion and loss of efficiency. Inspection and monitoring of these conditions can be integrated with preventive maintenance programs, thereby advancing station-life management processes. A prototype pulsed eddy current (PEC) probe, targeting inspection issues associated with SG tubes in SS410 tube support plate structures, has been developed using commercial finite element (FE) software. FE modeling was used to identify appropriate driver and pickup coil configurations for optimum sensitivity to changes in gap and offset for Alloy-800 SG tubes passing through 25 mm thick SS410 support plates. Experimental measurements using a probe that was manufactured based on the modeled configuration, were used to confirm the sensitivity of differential PEC signals to changes in relative position of the tube within the tube support plate holes. Models investigated the effect of shift and tilt of tube with respect to hole centers. Near hole centers and for small shifts, modeled signal amplitudes from the differentially connected coil pairs were observed to change linearly with tube shift. This was in agreement with experimentally measured TEC coil response. The work paves the way for development of a system targeting the inspection and evaluation of support plate structures in steam generators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Possible mechanism of adhesion in a mica supported phospholipid bilayer

Phospholipid bilayers supported on hydrophilic solids like silica and mica play a substantial role in fundamental studies and technological applications of phospholipid membranes. In both cases the molecular mechanism of adhesion between the bilayer and the support is of primary interest. Since the possibilities of experimental methods in this specific area are rather limited, the methods of computer simulation acquire great importance. In this paper we use the grand canonical Monte Carlo technique and an atomistic force field to simulate the behavior of a mica supported phospholipid bilayer in pure water as a function of the distance between the bilayer and the support. The simulation reveals a possible adhesion mechanism, where the adhesion is due to individual lipid molecules that protrude from the bilayer and form widely spaced links with the support. Simultaneously, the bilayer remains separated from the bilayer by a thin water interlayer which maintains the bilayer fluidity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Performance characterization of CNTs and γ-Al{sub 2}O{sub 3} supported cobalt catalysts in Fischer-Tropsch reaction

Catalysts were prepared via a wet impregnation method. Different physicochemical properties of the samples were revealed by transmission electron microscope (TEM), temperature programmed reduction (H{sub 2}-TPR) and carbon dioxide desorption (CO{sub 2}-desorption). Fischer-Tropsch reaction (FTS) was carried out in a fixed-bed microreactor at 220°C and 1 atm, with H{sub 2}/CO = 2v/v and space velocity, SV of 12L/g.h for 5 h. Various characterization techniques revealed that there was a stronger interaction between Co and Al{sub 2}O{sub 3} support compared to that of CNTs support. CNTs support increased the reducibility and decreased Co particle size. A significant increase in % CO conversion and FTS reaction rate was observed over CNTs support compared to that of Co/Al{sub 2}O{sub 3}. Co/CNTs resulted in higher C{sub 5+} hydrocarbons selectivity compared to that of Co/Al{sub 2}O{sub 3} catalyst. CNTs are a better support for Co compared to Al{sub 2}O{sub 3}.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The role of support morphology on the performance of Cu/ZnO-catalyst for hydrogenation of CO{sub 2} to methanol

The effects of SBA-15 support morphology on the activity of Cu/ZnO catalyst in the hydrogenation of CO{sub 2} to methanol was investigated. In the hydrogenation of CO{sub 2} to methanol at 210°C, 2.25 MPa, H{sub 2}/CO{sub 2} ratio of three remarkable difference was obtained using Cu/ZnO catalyst supported on SBA-15 with different morphology. The catalysts were characterized using N{sub 2}-adsorption, field emission scanning microscopy (FESEM/EDX), transmission electron microscopy (HRTEM), and temperature-programmed reduction (TPR). Characterization of the catalyst showed that support morphology, surface area, metals dispersion, and reducibility influenced the catalytic performance. On the fiber-shaped SBA-15, copper dispersion was 29 % whereas on the spherical-shaped SBA-15, the dispersion was 20 %. The experimental results showed that the catalyst supported over fiber-shaped SBA-15 exhibit higher CO{sub 2} conversion (13.96 %) and methanol selectivity (91.32 %) compare to catalyst supported over spherical-shaped SBA-15.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving ICF implosion performance with alternative capsule supports

The thin membrane that holds the capsule in-place in the hohlraum is recognized as one of the most significant contributors to reduced performance in indirect drive inertial confinement fusion (ICF) experiments on the National Ignition Facility. This membrane, known as the “tent,” seeds a perturbation that is amplified by Rayleigh-Taylor and can rupture the capsule. A less damaging capsule support mechanism is under development. Possible alternatives include the micron-scale rods spanning the hohlraum width and supporting either the capsule or stiffening the fill-tube, a larger fill-tube to both fill and support the capsule, or a low-density foam layer that protects the capsule from the tent impact. Experiments are testing these support features to measure their imprint on the capsule. These experiments are revealing unexpected aspects about perturbation development in indirect drive ICF, such as the importance of shadows coming from bright spots in the hohlraum. Two dimensional and 3D models are used to explain these features and assess the impact on implosion performance. Experiments and modeling suggest that the fill-tube supported by a perpendicular rod can mount the capsule without any additional perturbation beyond that of the fill tube.

Weber, C. R.↗

Hydro-instability growth of perturbation seeds from alternate capsule-support strategies in indirect-drive implosions on National Ignition Facility

Hydrodynamic instability growth of the capsule support membranes (or “tents”) and fill tubes has been studied in spherical, glow discharge polymer plastic capsule implosions at the National Ignition Facility (NIF). In NIF implosions, the capsules are supported by tents because the nominal 10-μm thick fill tubes are not strong enough to support capsules by themselves. After it was recognized that the tents had a significant impact of implosion stability, new support methods were investigated, including thicker, 30-μm diameter fill tubes and cantilevered fill tubes, as described in this article. A new “sub-scale” version of the existing x-ray radiography platform was developed for measuring growing capsule perturbations in the acceleration phase of implosions. It was calibrated using hydrodynamic growth measurements of pre-imposed capsule modulations with Legendre modes of 60, 90, 110, and 140 at convergence ratios up to ~2.4. Subsequent experiments with 3-D perturbations have studied instability growth of 10-μm and 30-μm thick fill tubes to compare them with 30-nm thick tent perturbations at convergence ratios up to ~3. In other experiments, the perturbations from cantilevered fill tubes were measured and compared to the tent perturbations. The cantilevered fill tubes were supported by 12-μm thick SiC rods, offset by 100 μm, 200 μm, and 300 μm from the capsule surfaces. Based on these experiments, 30-μm thick fill tubes and 300-μm offset cantilevered fill tubes were recommended for further tests using layered deuterium-tritium implosions. In conclusion, the effects of x-ray shadowing during the drive and oxygen-induced perturbations during target assembly produced additional seeds for instabilities and were also measured in these experiments.

42 ENGINEERING↗

In situ x-ray absorption investigations of a heterogenized molecular catalyst and its interaction with a carbon nanotube support

A highly active heterogenized molecular CO 2 reduction catalyst on a conductive carbon support is investigated to identify if its improved catalytic activity can be attributed to strong electronic interactions between catalyst and support. The molecular structure and electronic character of a [Re +1 (tBu-bpy)(CO) 3 Cl] (tBu-bpy = 4,4'-tert-butyl-2,2'-bipyridine) catalyst deposited on multiwalled carbon nanotubes are characterized using Re L 3 -edge x-ray absorption spectroscopy under electrochemical conditions and compared to the homogeneous catalyst. The Re oxidation state is characterized from the near-edge absorption region, while structural changes of the catalyst are assessed from the extended x-ray absorption fine structure under reducing conditions. Chloride ligand dissociation and a Re-centered reduction are both observed under applied reducing potential. The results confirm weak coupling of [Re(tBu-bpy)(CO) 3 Cl] with the support, since the supported catalyst exhibits the same oxidation changes as the homogeneous case. However, these results do not preclude strong interactions between a reduced catalyst intermediate and the support, preliminarily investigated here using quantum mechanical calculations. Thus, our results suggest that complicated linkage schemes and strong electronic interactions with the initial catalyst species are not required to improve the activity of heterogenized molecular catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ON THE SUPPORT OF SOLAR PROMINENCE MATERIAL BY THE DIPS OF A CORONAL FLUX TUBE

The dense prominence material is believed to be supported against gravity through the magnetic tension of dipped coronal magnetic field. For quiescent prominences, which exhibit many gravity-driven flows, hydrodynamic forces are likely to play an important role in the determination of both the large- and small-scale magnetic field distributions. In this study, we present the first steps toward creating a three-dimensional magneto-hydrostatic prominence model where the prominence is formed in the dips of a coronal flux tube. Here 2.5D equilibria are created by adding mass to an initially force-free magnetic field, then performing a secondary magnetohydrodynamic relaxation. Two inverse polarity magnetic field configurations are studied in detail, a simple o-point configuration with a ratio of the horizontal field (B{sub x} ) to the axial field (B{sub y} ) of 1:2 and a more complex model that also has an x-point with a ratio of 1:11. The models show that support against gravity is either by total pressure or tension, with only tension support resembling observed quiescent prominences. The o-point of the coronal flux tube was pulled down by the prominence material, leading to compression of the magnetic field at the base of the prominence. Therefore, tension support comes from the small curvature of the compressed magnetic field at the bottom and the larger curvature of the stretched magnetic field at the top of the prominence. It was found that this method does not guarantee convergence to a prominence-like equilibrium in the case where an x-point exists below the prominence flux tube. The results imply that a plasma {beta} of {approx}0.1 is necessary to support prominences through magnetic tension.

79 ASTRONOMY AND ASTROPHYSICS↗

SDSS-IV MaNGA: stellar rotational support in disc galaxies versus central surface density and stellar population age

ABSTRACT We investigate how the stellar rotational support changes as a function of spatially resolved stellar population age ($D_n4000$) and relative central stellar surface density ($\Delta \Sigma _1$) for MaNGA isolated/central disc galaxies. We find that the galaxy rotational support indicator $\lambda _{R_\mathrm{e}}$ varies smoothly as a function of $\Delta \Sigma _1$ and $D_n4000$. $D_n4000$ versus $\Delta \Sigma _1$ follows a ‘J-shape’, with $\lambda _{R_\mathrm{e}}$ contributing to the scatters. In this ‘J-shaped’ pattern rotational support increases with central $D_n4000$ when $\Delta \Sigma _1$ is low but decreases with $\Delta \Sigma _1$ when $\Delta \Sigma _1$ is high. Restricting attention to low-$\Delta \Sigma _1$ (i.e. large-radius) galaxies, we suggest that the trend of increasing rotational support with $D_n4000$ for these objects is produced by a mix of two different processes, a primary trend characterized by growth in $\lambda _{R_\mathrm{e}}$ along with mass through gas accretion, on top of which disturbance episodes are overlaid, which reduce rotational support and trigger increased star formation. An additional finding is that star-forming galaxies with low $\Delta \Sigma _1$ have relatively larger radii than galaxies with higher $\Delta \Sigma _1$ at fixed stellar mass. Assuming that these relative radii rankings are preserved while galaxies are star forming then implies clear evolutionary paths in central $D_n4000$ versus $\Delta \Sigma _1$. The paper closes with comments on the implications that these paths have for the evolution of pseudo-bulges versus classical bulges. The utility of using $\rm D_n4000$–$\Delta \Sigma _1$ to study $\lambda _{R_\mathrm{e}}$ reinforces the notion that galaxy kinematics correlate both with structure and with stellar-population state, and indicates the importance of a multidimensional description for understanding bulge and galaxy evolution.

Wang, Xiaohan (ORCID:0009000283121002)↗

Impacts of Inverter-Based Advanced Grid Support Functions on Islanding Detection

A long-standing requirement for inverters paired with distributed energy resources is that they are required to disconnect from the electrical power system (EPS) when an electrical island is formed. In recent years, advanced grid support controls have been developed for inverters to provide voltage and frequency support by integrating functions such as voltage and frequency ride-through, volt-VAr control, and frequency-Watt control. With these new capabilities integrated into the inverter, additional examination is needed to determine how voltage and frequency support will impact pre-existing inverter functions like island detection. This paper inspects how advanced inverter functions will impact its ability to detect the formation of an electrical island. Results are presented for the unintentional islanding laboratory tests of three common residential-scale photovoltaic inverters performing various combinations of grid support functions. For the inverters tested, grid support functions prolonged island disconnection times slightly; however, it was found that in all scenarios the inverters disconnected well within two seconds, the limit imposed by IEEE Std 1547-2003.

14 SOLAR ENERGY↗

Toward a Visualization-Supported Workflow for Cyber Alert Management using Threat Models and Human-Centered Design

Cyber network analysts follow complex processes in their investigations of potential threats to their network. Much research is dedicated to providing automated tool support in the effort to make their tasks more efficient, accurate, and timely. This tool support comes in a variety of implementations from machine learning algorithms that monitor streams of data to visual analytic environments for exploring rich and noisy data sets. Cyber analysts, however, often speak of a need for tools which help them merge the data they already have and help them establish appropriate baselines against which to compare potential anomalies. Furthermore, existing threat models that cyber analysts regularly use to structure their investigation are not often leveraged in support tools. We report on our work with cyber analysts to understand they analytic process and how one such model, the MITRE ATT&CK Matrix [32], is used to structure their analytic thinking. We present our efforts to map specific data needed by analysts into the threat model to inform our eventual visualization designs. We examine data mapping for gaps where the threat model is under-supported by either data or tools. We discuss these gaps as potential design spaces for future research efforts. We also discuss the design of a prototype tool that combines machine-learning and visualization components to support cyber analysts working with this threat model.

Cyber Security↗

SU-F-E-16: A Specific Training Package for Medical Physicists in Support to Nuclear and Radiological Emergency Situations

Purpose: To provide the professional medical physicists with adequate competencies and skills in order to help them get prepared to support Nuclear or Radiological Emergency (NRE) situations. Methods: Although clinical medical physicists working have in-depth knowledge in radiation dosimetry, including dose reconstruction and dose measurements, they are usually not involved in NRE situations. However, in a few instances where medical physicists were involved in NREs, it appeared that many lacked specific knowledge and skills that are required in such situations. This lack of specific knowledge and skills is probably due to the fact that most current medical physics curricula do not include a specific module on this topic. As a response to this finding, the IAEA decided to initiate a project to develop a specific training package to help prepare medical physicists to support NRE situations. The training package was developed with the kind support of the Government of Japan and in collaboration with Fukushima Medical University (FMU) and the National Institute of Radiological Sciences (NIRS). Results: The first International Workshop to test the training package was held in Fukushima, Japan in June 2015. It consisted of lectures, demonstrations, simulation, role play, and practical sessions followed by discussions. The training was delivered through 14 modules which were prepared with the support of 12 lecturers. A knowledge assessment test was done before the workshop, followed by the same test done at the end of the Workshop, to assess the knowledge acquired during the training. Conclusion: The Workshop was successfully implemented. The overall rating of the workshop by the participants was excellent and all participants reported that they acquired a good understanding of the main issues that are relevant to medical physics support in case of NRE situations. They are expected to disseminate the knowledge to other medical physicists in their countries.

07 ISOTOPE AND RADIATION SOURCES↗

Effect of Catalyst and Catalyst Layer Composition on Catalyst Support Durability

Polymer electrolyte membrane fuel cells (PEMFCs) are efficient, zero-emission engines for the automotive sector. However, cost and durability are major barriers for the commercialization of PEMFCs. Degradation of the carbon support in the cathode catalyst layer due to high potential excursions caused by unmitigated events like H 2 starvation, or start-up/shutdown are still a major durability issue in PEMFCs. Catalyst support durability was studied by accelerated stress tests (ASTs) that included repeated potential cycling from 1.0 to 1.5 V. The effect of catalyst layer composition on carbon corrosion was studied using membrane electrode assemblies with different catalysts (Pt, PtCo), catalyst composition (catalyst wt.%, supports), ionomer composition (loading, and equivalent weights). The corrosion of the carbon support is similar between Pt and PtCo catalysts. However, the performance degradation rate is higher for the alloy catalysts due to differences in catalyst particle size and the transition metal’s leaching accelerating the performance degradation. The carbon loss is lower for catalysts with lower initial carbon loading (or higher catalyst wt.%), which is better for durability. However, the cumulative loss of carbon is identical for electrodes with the same catalyst support irrespective of catalyst and ionomer composition in the catalyst layer.

25 ENERGY STORAGE↗

Impact of Carbon Support Structure on the Durability of PtCo Electrocatalysts

High performing, low-Pt content fuel cell membrane electrode assemblies (MEAs) are critical to the economic viability of proton exchange membrane fuel cells (PEMFCs) for the transportation industry. Considerable research has been conducted to reduce the Pt content in fuel cells, leading to the development of transition metal alloys, such as Platinum-Cobalt (PtCo). The degree of degradation of PtCo catalysts can be impacted by not only the composition and morphology of the catalyst particle itself, but also its interactions with the carbon support. In this study several low-PtCo MEAs were fabricated, with various combinations of porous and solid carbon cathode catalyst supports. The MEAs were subjected to an accelerated stress test (AST), and the catalyst degradation characterized using electrochemical, X-ray scattering, and electron microscopy techniques. Porous supports retain more of their electrochemically-active surface area (ECSA) and demonstrate higher performance after the AST. This is believed to be due to the ability of the porous supports to trap the metal particles within the pores, slowing their dissolution/precipitation, and agglomeration. However porous supports also exhibit greater increases in transport resistance probably associated with enhanced Co leaching under the AST conditions.

25 ENERGY STORAGE↗

Support for chemistry symposia at the 2011 American Association for the Advancement of Science meeting, February 17-21 2011

This proposal supported Chemistry Symposia at the 2011 American Association for the Advancement of Science (AAAS) Meeting in Washington, DC February 17-21, 2011. The Chemistry Section of AAAS presented an unusually strong set of symposia for the 2011 AAAS meeting to help celebrate the 2011 International Year of Chemistry. The AAAS meeting provided an unusual opportunity to convey the excitement and importance of chemistry to a very broad audience and allowed access to a large contingent of the scientific press. Excellent suggestions for symposia were received from AAAS Chemistry Fellows and from the chairs of the American Chemical Society Technical Divisions. The AAAS Chemistry executive committee selected topics that would have wide appeal to scientists, the public, and the press for formal proposals of symposia. The symposia proposals were peer reviewed by AAAS. The Chemistry Section made a strong case to the program selection committee for approval of the chemistry symposia and 6 were approved for the 2011 annual meeting. The titles of the approved symposia were: (1) Powering the Planet: Generation of Clean Fuels from Sunlight and Water, (2) Biological Role and Consequences of Intrinsic Protein Disorder, (3) Chemically Speaking: How Organisms Talk to Each Other, (4) Molecular Self-Assembly and Artificial Molecular Machines, (5) Frontiers in Organic Materials for Information Processing, Energy and Sensors, and (6) Celebrating Marie Curie's 100th Anniversary of Her Nobel Prize in Chemistry. The Chemistry Section of AAAS is provided with funds to support only 1-2 symposia a year. Because of the much greater number of symposia approved in conjunction with observance of the 2011 International Year of Chemistry, additional support was sought from DOE to help support the 30 invited speakers and 8 symposia moderators/organizers. Support for the symposia provided the opportunity to highlight the excitement of current chemical research, to educate the public about the achievements of chemistry and its contributions to the well-being of humankind. The 2011 AAAS Annual Meeting provided an important opportunity to play a prominent role in the global celebration of the 2011 International Year of Chemistry.

08 HYDROGEN↗

Technical Support Document for Version 3.9.0 of the COMcheck Software

COMcheck provides an optional way to demonstrate compliance with commercial and high-rise residential building energy codes. Commercial buildings include all use groups except single family and multifamily not over three stories in height. COMcheck was originally based on ANSI/ASHRAE/IES Standard 90.1-1989 (Standard 90.1-1989) requirements and is intended for use with various codes based on Standard 90.1, including the Codification of ASHRAE/IES Standard 90.1-1989 (90.1-1989 Code) (ASHRAE 1989a, 1993b) and ASHRAE/IESNA Standard 90.1-1999 (Standard 90.1-1999). This includes jurisdictions that have adopted the 90.1-1989 Code, Standard 90.1-1989, Standard 90.1-1999, or their own code based on one of these. We view Standard 90.1-1989 and the 90.1-1989 Code as having equivalent technical content and have used both as source documents in developing COMcheck. This technical support document (TSD) is designed to explain the technical basis for the COMcheck software as originally developed based on the ANSI/ASHRAE/IES Standard 90.1-1989 (Standard 90.1-1989). Documentation for other national model codes and standards and specific state energy codes supported in COMcheck has been added to this report as appendices. These appendices are intended to provide technical documentation for features specific to the supported codes and for any changes made for state-specific codes that differ from the standard features that support compliance with the national model codes and standards. Beginning with COMcheck version 3.8.0, support for 90.1-1989, 90.1-1999, and the 1998 IECC are no longer included, but those sections remain in this document for reference purposes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Supported Molten Metal Membranes for Hydrogen Separation

We describe here our results on the feasibility of a novel dense metal membrane for hydrogen separation: Supported Molten Metal Membrane, or SMMM. The goal in this work was to develop these new membranes based on supporting thin films of low-melting, non- precious group metals, e.g., tin (Sn), indium (In), gallium (Ga), or their alloys, to provide a flux and selectivity of hydrogen that rivals the conventional but substantially more expensive palladium (Pd) or Pd alloy membranes, which are susceptible to poisoning by the many species in the coal-derived syngas, and further possess inadequate stability and limited operating temperature range. The novelty of the technology presented numerous challenges during the course of this project, however, mainly in the selection of appropriate supports, and in the fabrication of a stable membrane. While the wetting instability of the SMMM remains an issue, we did develop an adequate understanding of the interaction between molten metal films with porous supports that we were able to find appropriate supports. Thus, our preliminary results indicate that the Ga/SiC SMMM at 550 °C has a permeance that is an order of magnitude higher than that of Pd, and exceeds the 2015 DOE target. To make practical SMM membranes, however, further improving the stability of the molten metal membrane is the next goal. For this, it is important to better understand the change in molten metal surface tension and contact angle as a function of temperature and gas-phase composition. A thermodynamic theory was, thus, developed, that is not only able to explain this change in the liquid-gas surface tension, but also the change in the solid-liquid surface tension as well as the contact angle. This fundamental understanding has allowed us to determine design characteristics to maintain stability in the face of changing gas composition. These designs are being developed. For further progress, it is also important to understand the nature of solution and permeation process in these molten metal membranes. For this, a comprehensive microkinetic model was developed for hydrogen permeation in dense metal membranes, and tested against data for Pd membrane over a broad range of temperatures. It is planned to obtain theoretical and experimental estimates of the parameters to corroborate the model against mental results for SMMM.

08 HYDROGEN↗