scholarly journals Gas phase Elemental abundances in Molecular cloudS (GEMS)

2020 ◽  
Vol 637 ◽  
pp. A39
Author(s):  
D. Navarro-Almaida ◽  
R. Le Gal ◽  
A. Fuente ◽  
P. Rivière-Marichalar ◽  
V. Wakelam ◽  
...  
Keyword(s):  
Gas Phase ◽  
Desorption Rate ◽  
Dark Clouds ◽  
Physical Conditions ◽  
Grain Model ◽  
Open Question ◽  
The Impact ◽  
The Universe ◽  
Stable Molecule ◽  
Good Agreement

Context. Sulphur is one of the most abundant elements in the Universe. Surprisingly, sulphuretted molecules are not as abundant as expected in the interstellar medium and the identity of the main sulphur reservoir is still an open question. Aims. Our goal is to investigate the H2S chemistry in dark clouds, as this stable molecule is a potential sulphur reservoir. Methods. Using millimeter observations of CS, SO, H2S, and their isotopologues, we determine the physical conditions and H2S abundances along the cores TMC 1-C, TMC 1-CP, and Barnard 1b. The gas-grain model NAUTILUS is used to model the sulphur chemistry and explore the impact of photo-desorption and chemical desorption on the H2S abundance. Results. Our modeling shows that chemical desorption is the main source of gas-phase H2S in dark cores. The measured H2S abundance can only be fitted if we assume that the chemical desorption rate decreases by more than a factor of 10 when nH > 2 × 104. This change in the desorption rate is consistent with the formation of thick H2O and CO ice mantles on grain surfaces. The observed SO and H2S abundances are in good agreement with our predictions adopting an undepleted value of the sulphur abundance. However, the CS abundance is overestimated by a factor of 5−10. Along the three cores, atomic S is predicted to be the main sulphur reservoir. Conclusions. The gaseous H2S abundance is well reproduced, assuming undepleted sulphur abundance and chemical desorption as the main source of H2S. The behavior of the observed H2S abundance suggests a changing desorption efficiency, which would probe the snowline in these cold cores. Our model, however, highly overestimates the observed gas-phase CS abundance. Given the uncertainty in the sulphur chemistry, we can only conclude that our data are consistent with a cosmic elemental S abundance with an uncertainty of a factor of 10.

scholarly journals Nautilus multi-grain model: Importance of cosmic-ray-induced desorption in determining the chemical abundances in the ISM

2018 ◽  
Vol 615 ◽  
pp. A20 ◽  
Author(s):  
Wasim Iqbal ◽  
Valentine Wakelam
Keyword(s):  
Grain Size ◽  
Surface Temperature ◽  
Gas Phase ◽  
Numerical Models ◽  
Cosmic Ray ◽  
Grain Sizes ◽  
Small Grains ◽  
Grain Model ◽  
Grain Surface ◽  
The Impact

Context. Species abundances in the interstellar medium (ISM) strongly depend on the chemistry occurring at the surfaces of the dust grains. To describe the complexity of the chemistry, various numerical models have been constructed. In most of these models, the grains are described by a single size of 0.1 μm. Aims. We study the impact on the abundances of many species observed in the cold cores by considering several grain sizes in the Nautilus multi-grain model. Methods. We used grain sizes with radii in the range of 0.005 μm to 0.25 μm. We sampled this range in many bins. We used the previously published, MRN and WD grain size distributions to calculate the number density of grains in each bin. Other parameters such as the grain surface temperature or the cosmic-ray-induced desorption rates also vary with grain sizes. Results. We present the abundances of various molecules in the gas phase and also on the dust surface at different time intervals during the simulation. We present a comparative study of results obtained using the single grain and the multi-grain models. We also compare our results with the observed abundances in TMC-1 and L134N clouds. Conclusions. We show that the grain size, the grain size dependent surface temperature and the peak surface temperature induced by cosmic ray collisions, play key roles in determining the ice and the gas phase abundances of various molecules. We also show that the differences between the MRN and the WD models are crucial for better fitting the observed abundances in different regions in the ISM. We show that the small grains play a very important role in the enrichment of the gas phase with the species which are mainly formed on the grain surface, as non-thermal desorption induced by collisions of cosmic ray particles is very efficient on the small grains.

scholarly journals The Transition from Diffuse to Dense Clouds

1992 ◽  
Vol 45 (4) ◽  
pp. 543 ◽  
Author(s):  
Theodore P Snow
Keyword(s):  
Gas Phase ◽  
Open Cluster ◽  
Dust Particles ◽  
Interstellar Clouds ◽  
Dark Clouds ◽  
Diffuse Interstellar Bands ◽  
Cloud Characteristics ◽  
Wide Range ◽  
Diffuse Clouds ◽  
The Impact

Optical and ultraviolet spectroscopy have shown that diffuse interstellar clouds can have a wide range of properties, with especially large variations in the nature of the UV extinction curve and the abundances of molecular species. More subtle variations are found in the properties of the diffuse interstellar bands, and there have been suggestions that elemental depletions from the gas phase into solid dust particles also vary significantly. It is the purpose of this paper to review studies of the relatively diffuse interstellar clouds where these variations occur, and to explore the possible relationship between dust properties, as indicated by UV extinction, and other cloud characteristics. The focus is on relatively dense diffuse clouds, which may be viewed as transitional or intermediate between ordinary diffuse clouds and dark clouds, because in principle the greatest amount of information is available for the intermediate clouds, and because they serve as indicators of processes that may occur in the denser molecular clouds. The paper begins with a brief review of some results from the literature on transitional or intermediate clouds, and then provides a summary of some recent results on one particular cloud, in front of the star BD+31 �643, in the small open cluster IC348, which is part of the Perseus II complex of dark clouds and OB associations. The paper concludes with some tentative speculations about the possible status of the transitional clouds, along with a brief mention of the impact of upcoming instrumental developments on research in this area.

scholarly journals Breakdown curves of CH2(+), CH3(+), and CH4(+) molecules

2020 ◽  
Vol 640 ◽  
pp. A115
Author(s):  
M. Chabot ◽  
T. IdBarkach ◽  
K. Béroff ◽  
F. Le Petit ◽  
V. Wakelam
Keyword(s):  
Chemical Composition ◽  
Charge Exchange ◽  
Chemical Reactions ◽  
Branching Ratio ◽  
Exchange Reactions ◽  
Dark Clouds ◽  
Grain Model ◽  
Semi Empirical ◽  
Excited Complexes ◽  
Good Agreement

Aims. The aim of this work is to provide semi-empirical branching ratios (BRs) for the kinetic databases used in astrochemistry, such as the KInetic Database for Astrochemistry (KIDA). Our work focuses on the CHy(+) species (y = 2–4) excited by cosmic rays (CR), electrons, and photons (UV), or the intermediate excited complexes CHy(+) resulting from chemical reactions. It also intends to test the sensitivity of benchmark calculations to those new physical inputs in cold quiescent clouds and in photo-dissociation regions (PDRs). Methods. We constructed semi-empirical breakdown curves (BDCs) based on the collision of CHy+ (y = 2–4) projectiles of constant velocity (250 keV uma−1) with He atoms as explained in a previous paper, where BRs for UV, CR, and electronic processing were also derived. The same BDCs were applied to predict BRs for chemical reactions (bi-molecular neutral and ionic reactions, charge exchange). The effect of the new BRs on the chemical composition of cold dark clouds was tested using the time-dependent Nautilus gas-grain model. The same effect on the chemical composition of PDRs was tested using the Meudon PDR code. Results. Branching ratio predictions of the model are found to be in good agreement with available BR measurements for charge exchange reactions and the reaction between C and H3+. The chemistry for both cold clouds and PDRs is found to be not strongly affected by this update of BRs.

COMPUTER MODELING OF CHEMICAL EQUILIBRIUMS IN WO3–H2O SYSTEM

2017 ◽  
pp. 35-48 ◽  
Author(s):  
V.P. Bondarenko ◽  
O.O. Matviichuk
Keyword(s):  
Transition Temperature ◽  
Gas Phase ◽  
Single Phase ◽  
Reference Data ◽  
Maximum Amount ◽  
Reaction Products ◽  
Influence Of Temperature ◽  
Equilibrium Chemical ◽  
Program Data ◽  
Good Agreement

Detail investigation of equilibrium chemical reactions in WO3–H2O system using computer program FacktSage with the aim to establish influence of temperature and quantity of water on formation of compounds of H2WO4 and WO2(OH)2 as well as concomitant them compounds, evaporation products, decomposition and dissociation, that are contained in the program data base were carried out. Calculations in the temperature range from 100 to 3000 °С were carried out. The amount moles of water added to 1 mole of WO3 was varied from 0 to 27. It is found that the obtained data by the melting and evaporation temperatures of single-phase WO3 are in good agreement with the reference data and provide additionally detailed information on the composition of the gas phase. It was shown that under heating of 1 mole single-phase WO3 up to 3000 °С the predominant oxide that exist in gaseous phase is (WO3)2. Reactions of it formation from other oxides ((WO3)3 and (WO3)4) were proposed. It was established that compound H2WO4 is stable and it is decomposed on WO3 and H2O under 121 °C. Tungsten Oxide Hydrate WO2(OH)2 first appears under 400 °С and exists up to 3000 °С. Increasing quantity of Н2О in system leads to decreasing transition temperature of WO3 into both liquid and gaseous phases. It was established that adding to 1 mole WO3 26 mole H2O maximum amount (0,9044–0,9171 mole) WO2(OH)2 under temperatures 1400–1600 °С can be obtained, wherein the melting stage of WO3 is omitted. Obtained data also allowed to state that that from 121 till 400 °С WO3–Н2O the section in the О–W–H ternary system is partially quasi-binary because under these temperatures in the system only WO3 and Н2O are present. Under higher temperatures WO3–Н2O section becomes not quasi-binary since in the reaction products WO3 with Н2O except WO3 and Н2O, there are significant amounts of WO2(OH)2, (WO3)2, (WO3)3, (WO3)4 and a small amount of atoms and other compounds. Bibl. 12, Fig. 6, Tab. 5.

Modeling of Tread Block Contact Mechanics Using Linear Viscoelastic Theory3

2008 ◽  
Vol 36 (3) ◽  
pp. 211-226 ◽  
Author(s):  
F. Liu ◽  
M. P. F. Sutcliffe ◽  
W. R. Graham
Keyword(s):  
High Speed ◽  
Slip Rate ◽  
Material Model ◽  
Contact Forces ◽  
Block Modeling ◽  
Rate Dependent ◽  
Linear Viscoelastic Material ◽  
Linear Viscoelastic ◽  
The Impact ◽  
Good Agreement

Abstract In an effort to understand the dynamic hub forces on road vehicles, an advanced free-rolling tire-model is being developed in which the tread blocks and tire belt are modeled separately. This paper presents the interim results for the tread block modeling. The finite element code ABAQUS/Explicit is used to predict the contact forces on the tread blocks based on a linear viscoelastic material model. Special attention is paid to investigating the forces on the tread blocks during the impact and release motions. A pressure and slip-rate-dependent frictional law is applied in the analysis. A simplified numerical model is also proposed where the tread blocks are discretized into linear viscoelastic spring elements. The results from both models are validated via experiments in a high-speed rolling test rig and found to be in good agreement.

Explaining the magnetism of gold

2017 ◽  
Author(s):  
Robson de Farias
Keyword(s):  
Gas Phase ◽  
Computational Study ◽  
Formation Enthalpy ◽  
Gold Atom ◽  
Orbital Energy ◽  
Knudsen Effusion ◽  
Energy Diagram ◽  
Unpaired Electrons ◽  
The Difference ◽  
Good Agreement

<p>In the present work, a computational study is performed in order to clarify the possible magnetic nature of gold. For such purpose, gas phase Au<sub>2</sub> (zero charge) is modelled, in order to calculate its gas phase formation enthalpy. The calculated values were compared with the experimental value obtained by means of Knudsen effusion mass spectrometric studies [5]. Based on the obtained formation enthalpy values for Au<sub>2</sub>, the compound with two unpaired electrons is the most probable one. The calculated ionization energy of modelled Au<sub>2</sub> with two unpaired electrons is 8.94 eV and with zero unpaired electrons, 11.42 eV. The difference (11.42-8.94 = 2.48 eV = 239.29 kJmol<sup>-1</sup>), is in very good agreement with the experimental value of 226.2 ± 0.5 kJmol<sup>-1</sup> to the Au-Au bond<sup>7</sup>. So, as expected, in the specie with none unpaired electrons, the two 6s<sup>1</sup> (one of each gold atom) are paired, forming a chemical bond with bond order 1. On the other hand, in Au<sub>2</sub> with two unpaired electrons, the s-d hybridization prevails, because the relativistic contributions. A molecular orbital energy diagram for gas phase Au<sub>2</sub> is proposed, explaining its paramagnetism (and, by extension, the paramagnetism of gold clusters and nanoparticles).</p>

Dynamic model for high-speed rotors based on their experimental characterization

2017 ◽  
Vol 2 (4) ◽  
pp. 25
Author(s):  
L. A. Montoya ◽  
E. E. Rodríguez ◽  
H. J. Zúñiga ◽  
I. Mejía
Keyword(s):  
Dynamic Model ◽  
High Speed ◽  
Natural Frequencies ◽  
Mode Shapes ◽  
Experimental Characterization ◽  
Rotating Systems ◽  
Computing Performance ◽  
The Impact ◽  
Stiffness Distribution ◽  
Good Agreement

Rotating systems components such as rotors, have dynamic characteristics that are of great importance to understand because they may cause failure of turbomachinery. Therefore, it is required to study a dynamic model to predict some vibration characteristics, in this case, the natural frequencies and mode shapes (both of free vibration) of a centrifugal compressor shaft. The peculiarity of the dynamic model proposed is that using frequency and displacements values obtained experimentally, it is possible to calculate the mass and stiffness distribution of the shaft, and then use these values to estimate the theoretical modal parameters. The natural frequencies and mode shapes of the shaft were obtained with experimental modal analysis by using the impact test. The results predicted by the model are in good agreement with the experimental test. The model is also flexible with other geometries and has a great time and computing performance, which can be evaluated with respect to other commercial software in the future.

Diffusion model for deposition of epitaxial GaAs layers prepared by the MOCVD method

1991 ◽  
Vol 56 (10) ◽  
pp. 2020-2029
Author(s):  
Jindřich Leitner ◽  
Petr Voňka ◽  
Josef Stejskal ◽  
Přemysl Klíma ◽  
Rudolf Hladina
Keyword(s):  
Experimental Data ◽  
Growth Rate ◽  
Kinetic Model ◽  
Gas Phase ◽  
Substrate Surface ◽  
Deposition Process ◽  
Hydrogen Atmosphere ◽  
Epitaxial Gaas ◽  
Kinetics Of ◽  
Good Agreement

The authors proposed and treated quantitatively a kinetic model for deposition of epitaxial GaAs layers prepared by reaction of trimethylgallium with arsine in hydrogen atmosphere. The transport of gallium to the surface of the substrate is considered as the controlling process. The influence of the rate of chemical reactions in the gas phase and on the substrate surface on the kinetics of the deposition process is neglected. The calculated dependence of the growth rate of the layers on the conditions of the deposition is in a good agreement with experimental data in the temperature range from 600 to 800°C.

scholarly journals Measuring Hydrometeors Using a Precipitation Microphysical Characteristics Sensor: Sampling Effect of Different Bin Sizes on Drop Size Distribution Parameters

2018 ◽  
Vol 2018 ◽  
pp. 1-15 ◽  
Author(s):  
Xichuan Liu ◽  
Taichang Gao ◽  
Yuntao Hu ◽  
Xiaojian Shu
Keyword(s):  
Drop Size ◽  
Rain Rate ◽  
Monte Carlo Model ◽  
Rain Gauge ◽  
Sampling Schemes ◽  
Distribution Parameters ◽  
Optimum Sampling ◽  
Simulation Results ◽  
The Impact ◽  
Good Agreement

In order to improve the measurement of precipitation microphysical characteristics sensor (PMCS), the sampling process of raindrops by PMCS based on a particle-by-particle Monte-Carlo model was simulated to discuss the effect of different bin sizes on DSD measurement, and the optimum sampling bin sizes for PMCS were proposed based on the simulation results. The simulation results of five sampling schemes of bin sizes in four rain-rate categories show that the raw capture DSD has a significant fluctuation variation influenced by the capture probability, whereas the appropriate sampling bin size and width can reduce the impact of variation of raindrop number on DSD shape. A field measurement of a PMCS, an OTT PARSIVEL disdrometer, and a tipping bucket rain Gauge shows that the rain-rate and rainfall accumulations have good consistencies between PMCS, OTT, and Gauge; the DSD obtained by PMCS and OTT has a good agreement; the probability of N0, μ, and Λ shows that there is a good agreement between the Gamma parameters of PMCS and OTT; the fitted μ-Λ and Z-R relationship measured by PMCS is close to that measured by OTT, which validates the performance of PMCS on rain-rate, rainfall accumulation, and DSD related parameters.

scholarly journals Investigating the properties of a galaxy group at z = 0.6

2020 ◽  
Vol 15 (S359) ◽  
pp. 188-189
Author(s):  
Daniela Hiromi Okido ◽  
Cristina Furlanetto ◽  
Marina Trevisan ◽  
Mônica Tergolina
Keyword(s):  
Large Scale ◽  
The Other ◽  
Numerical Density ◽  
Spectroscopy Data ◽  
Stellar Kinematics ◽  
Galaxy Groups ◽  
The Galaxy ◽  
The Difference ◽  
The Impact ◽  
The Universe

AbstractGalaxy groups offer an important perspective on how the large-scale structure of the Universe has formed and evolved, being great laboratories to study the impact of the environment on the evolution of galaxies. We aim to investigate the properties of a galaxy group that is gravitationally lensing HELMS18, a submillimeter galaxy at z = 2.39. We obtained multi-object spectroscopy data using Gemini-GMOS to investigate the stellar kinematics of the central galaxies, determine its members and obtain the mass, radius and the numerical density profile of this group. Our final goal is to build a complete description of this galaxy group. In this work we present an analysis of its two central galaxies: one is an active galaxy with z = 0.59852 ± 0.00007, while the other is a passive galaxy with z = 0.6027 ± 0.0002. Furthermore, the difference between the redshifts obtained using emission and absorption lines indicates an outflow of gas with velocity v = 278.0 ± 34.3 km/s relative to the galaxy.

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