Electron Attachment to Aliphatic Hydrocarbons of the Form n‐CNH2N+1Br(N = 2–6 and 8) II. A Swarm‐Beam Study

1971 ◽  
Vol 54 (11) ◽  
pp. 4706-4714 ◽  
Author(s):  
L. G. Christophorou ◽  
J. G. Carter ◽  
P. M. Collins ◽  
A. A. Christodoulides
Keyword(s):  
Electron Attachment ◽  
Aliphatic Hydrocarbons

Electron Attachment to Halogenated Aliphatic Hydrocarbons

1968 ◽  
Vol 49 (4) ◽  
pp. 1526-1531 ◽  
Author(s):  
R. P. Blaunstein ◽  
L. G. Christophorou
Keyword(s):  
Electron Attachment ◽  
Aliphatic Hydrocarbons

ON THE THREE-BODY ELECTRON ATTACHMENT TO OXYGEN IN THE PLASMA OF A NON-SELF-MAINTAINED DISCHARGE

1979 ◽  
Vol 40 (C7) ◽  
pp. C7-103-C7-104
Author(s):  
A. N. Vasilieva ◽  
I. A. Grishina ◽  
V. I. Ktitorov ◽  
A. S. Kovalev ◽  
A. T. Rakhimov
Keyword(s):  
Electron Attachment ◽  
Maintained Discharge ◽  
Three Body

A Multi-Layer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity

2020 ◽  
Author(s):  
Soumi Haldar ◽  
Achintya Kumar Dutta
Keyword(s):  
Electron Affinity ◽  
Electron Attachment ◽  
Equation Of Motion ◽  
Cluster Method ◽  
Coupled Cluster ◽  
Coupled Cluster Method ◽  
Large Molecules ◽  
Layer Method ◽  
Speed Up ◽  
Attachment Process

We have presented a multi-layer implementation of the equation of motion coupled-cluster method for the electron affinity, based on local and pair natural orbitals. The method gives consistent accuracy for both localized and delocalized anionic states. It results in many fold speedup in computational timing as compared to the canonical and DLPNO based implementation of the EA-EOM-CCSD method. We have also developed an explicit fragment-based approach which can lead to even higher speed-up with little loss in accuracy. The multi-layer method can be used to treat the environmental effect of both bonded and non-bonded nature on the electron attachment process in large molecules.<br>

Numerical Simulation of Leakage Current on Conductive Insulator Surface

2019 ◽  
Vol 8 (4) ◽  
pp. 9487-9492
Keyword(s):  
Numerical Simulation ◽  
Electric Field ◽  
Leakage Current ◽  
Method Of Lines ◽  
Electron Attachment ◽  
Negative Ions ◽  
Conduction Current ◽  
Insulator Surface ◽  
Finite Difference Approximations ◽  
Positive Ions

The outdoor insulator is commonly exposed to environmental pollution. The presence of water like raindrops and dew on the contaminant surface can lead to surface degradation due to leakage current. However, the physical process of this phenomenon is not well understood. Hence, in this study we develop a mathematical model of leakage current on the outdoor insulator surface using the Nernst Planck theory which accounts for the charge transport between the electrodes (negative and positive electrode) and charge generation mechanism. Meanwhile the electric field obeys Poisson’s equation. Method of Lines technique is used to solve the model numerically in which it converts the PDE into a system of ODEs by Finite Difference Approximations. The numerical simulation compares reasonably well with the experimental conduction current. The findings from the simulation shows that the conduction current is affected by the electric field distribution and charge concentration. The rise of the conduction current is due to the distribution of positive ion while the dominancy of electron attachment with neutral molecule and recombination with positive ions has caused a significant reduction of electron and increment of negative ions.

Forbidden Electron Attachment in O2

1988 ◽  
Author(s):  
H. Sambe ◽  
D. E. Ramaker
Keyword(s):  
Electron Attachment

Transformation of methanol to hydrocarbons over Y zeolites with varying Si/Al ratio

1987 ◽  
Vol 52 (7) ◽  
pp. 1701-1707 ◽  
Author(s):  
Miloslav Křivánek ◽  
Nguyen Thiet Dung ◽  
Pavel Jírů
Keyword(s):  
Catalytic Activity ◽  
Reaction Time ◽  
Coke Formation ◽  
Aliphatic Hydrocarbons ◽  
Y Zeolite ◽  
Y Zeolites ◽  
Methanol To Hydrocarbons

The catalytic activity of Na, H-Y zeolite samples with a varying Si/Al ratio (2·5 to 20) in the transformation of methanol was determined. The amounts of formed individual aliphatic hydrocarbons as function of reaction time were correlated with the amount of Bronsted and Lewis centres on the catalysts. The effect of coke formation on the over-all course of the reaction has been demonstrated.

Aromatization of C2-C6 Aliphatic Hydrocarbons on Copper-Containing ZSM-5 Zeolites

1992 ◽  
Vol 57 (12) ◽  
pp. 2553-2560
Author(s):  
Zdravka Popova ◽  
Katia Aristirova ◽  
Christo Dimitrov
Keyword(s):  
Copper Content ◽  
Acid Strength ◽  
The State ◽  
Aliphatic Hydrocarbons ◽  
Bronsted Acid ◽  
Ion Formation ◽  
Brönsted Acid ◽  
Wide Range ◽  
Carbenium Ion ◽  
Acid Centers

The aromatization of a wide range of model aliphatic and cycloaliphatic hydrocarbons (ethene, ethane, propene, n-hexane, 1-hexene, methylcyclopentane, cyclohexane, cyclohexene) on copper-containing NaZSM-5 and HZSM-5 zeolites has been investigated. It was established that the degree of aromatization is related to carbenium ion formation and depends on the acid strength and copper content of zeolite. Experiments with copper-containing samples reduced prior to use indicated the possibility to enhance the selectivity to aromatization. The change of the state of Cu2+ ions during catalytic experiments confirmed the assumption about participation of Cu0 simultaneously with the Bronsted acid centers in the dehydrogenation/hydrogenation steps.

Molecular orientation of liquid aliphatic hydrocarbons on the surface and at the interface with water

1989 ◽  
Vol 54 (12) ◽  
pp. 3171-3186 ◽  
Author(s):  
Jan Kloubek
Keyword(s):  
Free Energy ◽  
Surface Free Energy ◽  
Molecular Orientation ◽  
Phase Changes ◽  
Aliphatic Hydrocarbons ◽  
Water Molecules ◽  
Free Energies ◽  
Dispersion Component ◽  
System Water ◽  
Orientation Of Molecules

The validity of the Fowkes theory for the interaction of dispersion forces at interfaces was inspected for the system water-aliphatic hydrocarbons with 5 to 16 C atoms. The obtained results lead to the conclusion that the hydrocarbon molecules cannot lie in a parallel position or be randomly arranged on the surface but that orientation of molecules increases there the ration of CH3 to CH2 groups with respect to that in the bulk. This ratio is changed at the interface with water so that the surface free energy of the hydrocarbon, γH, rises to a higher value, γ’H, which is effective in the interaction with water molecules. Not only the orientation of molecules depends on the adjoining phase and on the temperature but also the density of hydrocarbons on the surface of the liquid phase changes. It is lower than in the bulk and at the interface with water. Moreover, the volume occupied by the CH3 group increases on the surface more than that of the CH2 group. The dispersion component of the surface free energy of water, γdW = 19.09 mJ/m2, the non-dispersion component, γnW = 53.66 mJ/m2, and the surface free energies of the CH2 and CH3 groups, γ(CH2) = 32.94 mJ/m2 and γ(CH3) = 15.87 mJ/m2, were determined at 20 °C. The dependence of these values on the temperature in the range 15-40 °C was also evaluated.

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