Cross sections for electron collision with fluoroacetylene: A comparative study with acetylene and difluoroacetylene along with fluorination

Gupta, Dhanoj; Choi, Hyung Rim; Song, Mi‐Young; Yoon, Jung‐Sik

doi:10.1016/j.cplett.2017.07.021

Cited by 3 publications

(2 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The magnitude of the elastic cross section also decreases as one goes from BF to BF 2 and to BF 3 , which can be attributed to the addition of fluorine atoms to the molecule as we go from BF to BF 3 . Such fluorination effect has already been seen in the elastic cross section where the magnitude of the cross section goes down with the addition of fluorine atom and it also shifts the resonance position to higher energies [59]. All the results seem to converge beyond 8 eV for BF, BF 2 , and BF 3 .…”

Section: Results For Bfsupporting

confidence: 57%

Electron scattering studies of BF and BF₂

Gupta¹,

Choi²,

Song³

et al. 2020

J. Phys. B: At. Mol. Opt. Phys.

Self Cite

View full text Add to dashboard Cite

The present article reports calculated elastic, differential, momentum transfer and excitation cross section for electron scattering from BF and BF 2 radicals using the ab-initio R-matrix method. The calculations are performed with complete active space -configuration interaction and static exchange models for both targets to yield scattering cross sections and resonance parameters. Elastic and momentum transfer cross sections are also calculated using the spherical complex optical potential method to cover a wide energy range. The total ionization cross section is also reported from ionization threshold to 5 keV. The calculated cross sections for these neutral species are important for BF 3 plasma and are reported for the first time to the best of our knowledge except ionization.

show abstract

Section: Results For Bfsupporting

confidence: 57%

Electron scattering studies of BF and BF₂

Gupta¹,

Choi²,

Song³

et al. 2020

J. Phys. B: At. Mol. Opt. Phys.

Self Cite

View full text Add to dashboard Cite

show abstract

“…The magnitude of the C 2 H 2 peak is similar to that of HCCF. The molecules have very similar electron impact ionization cross sections at 21 eV [34] and therefore acetylene is formed in near‐equal concentrations to fluoroacetylene. Prior studies have not predicted or observed the formation of acetylene from difluoromethane.…”

Section: Resultsmentioning

confidence: 99%

Initiation and Carbene Induced Radical Chain Reactions in CH₂F₂ Pyrolysis

Shaik,

Jasper,

Lynch

et al. 2024

ChemPhysChem

View full text Add to dashboard Cite

High temperature dissociations of organic molecules typically involve a competition between radical and molecular processes. In this work, we use a modeling, experiment, theory (MET) framework to characterize the high temperature thermal dissociation of CH2F2, a flammable hydrofluorocarbon (HFC) that finds widespread use as a refrigerant. Initiation in CH2F2 proceeds via a molecular elimination channel; CH2F2 → CHF + HF. Here we show that the subsequent self‐reactions of the singlet carbene, CHF, are fast multichannel processes and a facile source of radicals that initiate rapid chain propagation reactions. These have a marked influence on the decomposition kinetics of CH2F2. The inclusion of these reactions brings the simulations into better agreement with the present and literature experiments. Additionally, flame simulations indicate that inclusion of the CHF + CHF multichannel reaction leads to a noticeable enhancement in predictions of laminar flame speeds, a key parameter that is used to determine the flammability of a refrigerant.

show abstract

Brief Review of Electron Collision Studies of Molecules Relevant to Plasma

Gupta

2020

Appl. Sci. Converg. Technol.

Self Cite

View full text Add to dashboard Cite

A brief review of the electron collision studies of perfluorocarbons and SF 6 relevant to plasma is presented. The use of these gases in various applications of plasma is highlighted, and their possible replacement with gases that have a low global warming potential is suggested. The results for a few simple fluorocarbons are presented, i.e., C 2 F 2 , C 3 F 4 , and C 4 F 6 for elastic scattering and C 2 F 6 for ionization, and the requirement for further investigation is highlighted. This review is not extensive; however, it presents an important step towards understanding the lack of cross-section data for numerous fluorocarbon molecules/radical species. In addition, it highlights the requirement for the detailed study of fluoroketones and fluoronitriles, which are possible substitutes for SF 6 for various electron collisional processes other than ionization.

show abstract

Cross sections for electron collision with fluoroacetylene: A comparative study with acetylene and difluoroacetylene along with fluorination

Cited by 3 publications

References 31 publications

Electron scattering studies of BF and BF₂

Electron scattering studies of BF and BF₂

Initiation and Carbene Induced Radical Chain Reactions in CH₂F₂ Pyrolysis

Brief Review of Electron Collision Studies of Molecules Relevant to Plasma

Contact Info

Product

Resources

About

Cross sections for electron collision with fluoroacetylene: A comparative study with acetylene and difluoroacetylene along with fluorination

Cited by 3 publications

References 31 publications

Electron scattering studies of BF and BF2

Electron scattering studies of BF and BF2

Initiation and Carbene Induced Radical Chain Reactions in CH2F2 Pyrolysis

Brief Review of Electron Collision Studies of Molecules Relevant to Plasma

Contact Info

Product

Resources

About

Electron scattering studies of BF and BF₂

Electron scattering studies of BF and BF₂

Initiation and Carbene Induced Radical Chain Reactions in CH₂F₂ Pyrolysis