scholarly journals Theoretical Studies of Dense Cloud Chemistry

1987 ◽  
Vol 120 ◽  
pp. 235-244 ◽  
Author(s):  
Eric Herbst
Keyword(s):  
Gas Phase ◽  
Low Temperatures ◽  
Rate Coefficients ◽  
Theoretical Studies ◽  
Cloud Chemistry ◽  
Physical Processes ◽  
Gas Phase Reactions ◽  
Interstellar Clouds ◽  
Molecular Abundances ◽  
Quantitative Calculations

Based on analyses by a variety of investigators, it has become understood that gas phase reactions can account for much of the chemistry observed in dense interstellar clouds. However, quantitative calculations of molecular abundances utilizing gas phase reactions are beset with difficulties. These difficulties include uncertainties in needed rate coefficients at the low temperatures of interstellar clouds, uncertainties in the dynamics of physical processes such as cloud collapse and clumping, and uncertainties in our understanding of gasgrain interactions. New work in some of these areas and its impact on modelling is emphasized.

Rate Coefficients for the Gas Phase Reactions of CF3CH2F (HFC-134a) with Chlorine and Fluorine Atoms:  Experimental and ab Initio Theoretical Studies

1997 ◽  
Vol 101 (45) ◽  
pp. 8503-8507 ◽  
Author(s):  
Florent Louis ◽  
Abdelmonaem Talhaoui ◽  
Jean-Pierre Sawerysyn ◽  
Marie-Thérèse Rayez ◽  
Jean-Claude Rayez
Keyword(s):  
Ab Initio ◽  
Gas Phase ◽  
Rate Coefficients ◽  
Theoretical Studies ◽  
Gas Phase Reactions ◽  
Hfc 134A

scholarly journals Experimental and computational kinetics investigations for the reactions of Cl atoms with series of unsaturated ketones in gas phase

2017 ◽  
Author(s):  
Siripina Vijayakumar ◽  
Avinash Kumar ◽  
Balla Rajakuma
Keyword(s):  
Gas Phase ◽  
State Theory ◽  
Rate Coefficients ◽  
Gas Phase Reactions ◽  
Temperature Dependent ◽  
Unsaturated Ketones ◽  
Temperature Range ◽  
Computational Calculations ◽  
Temperature Rate ◽  
Cl Atoms

Abstract. Temperature dependent rate coefficients for the gas phase reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one were measured over the temperature range of 298–363 K relative to 1-pentene, 1,3-butadiene and isoprene. Gas Chromatography (GC) was used to measure the concentrations of the organics. The derived temperature dependent Arrhenius expressions are k4-hexen-3-one+Cl (298–363 K) = (2.82 ± 1.76)×10−12exp [(1556 ± 438)/T] cm3 molecule−1 s−1 and k5-hexen-2-one+Cl (298–363 K) = (4.6 ± 2.4)×10−11exp[(646 ± 171)/T] cm3 molecule−1 s−1. The corresponding room temperature rate coefficients are (5.54 ± 0.41)×10−10 cm3 molecule−1 s−1 and (4.00 ± 0.37)×10−10 cm3 molecule−1 s−1 for the reactions of Cl atoms with 4-hexen-3-one and 5-hexen-2-one respectively. To understand the mechanism of Cl atom reactions with unsaturated ketones, computational calculations were performed for the reactions of Cl atoms with 4-hexen-3-one, 5-hexen-2-one and 3-penten-2-one over the temperature range of 275–400 K using Canonical Variational Transition state theory (CVT) with Small Curvature Tunneling (SCT) in combination with CCSD(T)/6-31+G(d, p)//MP2/6-311++G(d, p) level of theory. Atmospheric implications, reaction mechanism and feasibility of the title reactions are discussed in this manuscript.

Gas Phase and Surface Reactions in Mocvd of GaAs from Triethylgallium, Trimethylgallium, and Organometallic Arsenic Precursors

1988 ◽  
Vol 131 ◽  
Author(s):  
Thomas R. Omstead ◽  
Penny M. Van Sickle ◽  
Klavs F. Jensen
Keyword(s):  
Gas Phase ◽  
Low Temperatures ◽  
Surface Reactions ◽  
Rate Data ◽  
Gas Phase Reactions ◽  
Heated Zone ◽  
Model Predictions ◽  
First Time ◽  
Good Agreement

ABSTRACTThe growth of GaAs from triethylgallium (TEG) and trimethylgallium (TMG) with tertiarybutylarsine (tBAs), triethylarsenic (TEAs), and trimethylarsenic (TMAs), has been investigated by using a reactor equipped with a recording microbalance for in situ rate measurements. Rate data show that the growth with these precursors is dominated by the formation of adduct compounds in the gas lines, by adduct related parasitic gas phase reactions in the heated zone, and by the surface reactions. A model is proposed for the competition between deposition reactions and the parasitic gas phase reactions. Model predictions are in very good agreement with experimental data for all combinations of precursors except for TEG/TMAs where extensive gallium droplet formation is observed at low temperatures. Growth of reasonable quality GaAs with Hall mobilities of 7600 cm2/Vs at 77 K using TEG and tBAs is reported for the first time.

scholarly journals Astrochemistry of Interstellar Clouds: II. Molecular Formation in a Contracting Cloud

1987 ◽  
Vol 120 ◽  
pp. 273-274
Author(s):  
M.A. El Shalaby ◽  
A. Aiad
Keyword(s):  
Gas Phase ◽  
Optical Depth ◽  
Chemical Reactions ◽  
Particle Density ◽  
Interstellar Cloud ◽  
Gas Phase Reactions ◽  
Interstellar Clouds ◽  
Continous Function ◽  
Molecular Formation ◽  
Self Gravity

The chemistry of an 667 Mo interstellar cloud was studied using 142 reactions for 40 species during the contraction under self gravity in two steps. At first the contraction is allowed without gas phase reactions untill certain optical depth is reached. Secondly, at this optical depth the chemical reactions are started for sufficient cycles in a time dependant scheme till only very small additionally changes in the abundances occur. The so obtained, relative abundances and coulmn densities for different species represent a continous function of the optical depths. The values arround τ=6.3 represent the observations for H2, H2+, H3+, OH, OH+, CH, CH+, CH2, CH2+, CH3+, H2O and H3O+. The region of τ between 1 and 5 i.e. of particle density between 4 102–6 103 is the preferable formation place for the majority of molecules.

scholarly journals Low temperature gas phase reaction rate coefficient measurements: Toward modeling of stellar winds and the interstellar medium

2019 ◽  
Vol 15 (S350) ◽  
pp. 382-383
Author(s):  
Niclas A. West ◽  
Edward Rutter ◽  
Mark A. Blitz ◽  
Leen Decin ◽  
Dwayne E. Heard
Keyword(s):  
Low Temperature ◽  
Interstellar Medium ◽  
Gas Phase ◽  
Low Temperatures ◽  
Reaction Rate ◽  
Rate Coefficient ◽  
Building Blocks ◽  
Rate Coefficients ◽  
Stellar Winds ◽  
Phase Reaction

AbstractStellar winds of Asymptotic Giant Branch (AGB) stars are responsible for the production of ∼85% of the gas molecules in the interstellar medium (ISM), and yet very few of the gas phase rate coefficients under the relevant conditions (10 – 3000 K) needed to model the rate of production and loss of these molecules in stellar winds have been experimentally measured. If measured at all, the value of the rate coefficient has often only been obtained at room temperature, with extrapolation to lower and higher temperatures using the Arrhenius equation. However, non-Arrhenius behavior has been observed often in the few measured rate coefficients at low temperatures. In previous reactions studied, theoretical simulations of the formation of long-lived pre-reaction complexes and quantum mechanical tunneling through the barrier to reaction have been utilized to fit these non-Arrhenius behaviours of rate coefficients.Reaction rate coefficients that were predicted to produce the largest change in the production/loss of Complex Organic Molecules (COMs) in stellar winds at low temperatures were selected from a sensitivity analysis. Here we present measurements of rate coefficients using a pulsed Laval nozzle apparatus with the Pump Laser Photolysis - Laser Induced Fluorescence (PLP-LIF) technique. Gas flow temperatures between 30 – 134 K have been produced by the University of Leeds apparatus through the controlled expansion of N2 or Ar gas through Laval nozzles of a range of Mach numbers between 2.49 and 4.25.Reactions of interest include those of OH, CN, and CH with volatile organic species, in particular formaldehyde, a molecule which has been detected in the ISM. Kinetics measurements of these reactions at low temperatures will be presented using the decay of the radical reagent. Since formaldehyde and the formal radical (HCO) are potential building blocks of COMs in the interstellar medium, low temperature reaction rate coefficients for their production and loss can help to predict the formation pathways of COMs observed in the interstellar medium.

ChemInform Abstract: Experimental Studies of Gas-Phase Reactions at Extremely Low Temperatures

ChemInform ◽  
2010 ◽  
Vol 26 (28) ◽  
pp. no-no
Author(s):  
B. R. ROWE ◽  
I. R. SIMS ◽  
P. BOCHEREL ◽  
I. W. M. SMITH
Keyword(s):  
Gas Phase ◽  
Low Temperatures ◽  
Experimental Studies ◽  
Gas Phase Reactions
Sign in / Sign up

Export Citation Format

Share Document