Electron impact ionization and fragmentation of biofuels

M. Cristina A. Lopes; Wesley A.D. Pires; Kate L. Nixon; Raony A.A. Amorim; Daniel G.M. da Silva; Anne C.P. Fernandes; Santunu Ghosh; Darryl B. Jones; Laurence Campbell; Rafael F.C. Neves; Humberto V. Duque; Gustavo García; Francisco Blanco; Michael J. Brunger

doi:10.1140/epjd/e2020-100481-9

Electron impact ionization and fragmentation of biofuels

M. Cristina A. Lopes, Wesley A.D. Pires, Kate L. Nixon, Raony A.A. Amorim, Daniel G.M. da Silva, Anne C.P. Fernandes, Santunu Ghosh, Darryl B. Jones, Laurence Campbell, Rafael F.C. Neves, Humberto V. Duque, Gustavo García, Francisco Blanco, Michael J. Brunger

College of Science and Engineering

Research output: Contribution to journal › Review article › peer-review

17 Citations (Scopus)

Abstract

We present in this article, a review of our recent experimental and theoretical studies published in the literature on electron impact ionization and fragmentation of the primary alcohols methanol, ethanol, 1-propanol and 1-butanol (C₁–C₄). We discuss the mass spectra (MS) of these alcohols, measured for the electron impact energy of 70 eV and also, total (TICS) and partial (PICS) ionization cross sections in the energy range from 10 to 100 eV, which revealed the probability of forming different cations, by either direct or dissociative ionization. These experimental TICS are summarized together with theoretical values, calculated using the Binary-encounter Bethe (BEB) and the independent atom model with the screening corrected additivity rule (IAM-SCAR) methods. Additionally, we compared data of appearance energies – AE and discussed the application of the extended Wannier theory to PICS in order to produce the ionization and ionic fragmentation thresholds for the electron impact of these alcohols.

Original language	English
Article number	88
Number of pages	11
Journal	European Physical Journal D
Volume	74
Issue number	5
DOIs	https://doi.org/10.1140/epjd/e2020-100481-9
Publication status	Published - 1 May 2020

Keywords

electron impact ionization
primary alcohols methanol
mass spectra
electron impact energy
dissociative ionization
direct ionization
MS
TICS
PICS
Binary-encounter Bethe
BEB
appearance energies
AE
Wannier theory
alcohols

Access to Document

10.1140/epjd/e2020-100481-9Licence: In Copyright

Cite this

Lopes, M. C. A., Pires, W. A. D., Nixon, K. L., Amorim, R. A. A., da Silva, D. G. M., Fernandes, A. C. P., Ghosh, S., Jones, D. B., Campbell, L., Neves, R. F. C., Duque, H. V., García, G., Blanco, F., & Brunger, M. J. (2020). Electron impact ionization and fragmentation of biofuels. European Physical Journal D, 74(5), Article 88. https://doi.org/10.1140/epjd/e2020-100481-9

@article{18a7d20e6dc44fa4bc04e6cdbefb9d2c,

title = "Electron impact ionization and fragmentation of biofuels",

abstract = "We present in this article, a review of our recent experimental and theoretical studies published in the literature on electron impact ionization and fragmentation of the primary alcohols methanol, ethanol, 1-propanol and 1-butanol (C1–C4). We discuss the mass spectra (MS) of these alcohols, measured for the electron impact energy of 70 eV and also, total (TICS) and partial (PICS) ionization cross sections in the energy range from 10 to 100 eV, which revealed the probability of forming different cations, by either direct or dissociative ionization. These experimental TICS are summarized together with theoretical values, calculated using the Binary-encounter Bethe (BEB) and the independent atom model with the screening corrected additivity rule (IAM-SCAR) methods. Additionally, we compared data of appearance energies – AE and discussed the application of the extended Wannier theory to PICS in order to produce the ionization and ionic fragmentation thresholds for the electron impact of these alcohols.",

keywords = "electron impact ionization, primary alcohols methanol, mass spectra, electron impact energy, dissociative ionization, direct ionization, MS, TICS, PICS, Binary-encounter Bethe, BEB, appearance energies, AE, Wannier theory, alcohols",

author = "Lopes, {M. Cristina A.} and Pires, {Wesley A.D.} and Nixon, {Kate L.} and Amorim, {Raony A.A.} and {da Silva}, {Daniel G.M.} and Fernandes, {Anne C.P.} and Santunu Ghosh and Jones, {Darryl B.} and Laurence Campbell and Neves, {Rafael F.C.} and Duque, {Humberto V.} and Gustavo Garc{\'i}a and Francisco Blanco and Brunger, {Michael J.}",

year = "2020",

month = may,

day = "1",

doi = "10.1140/epjd/e2020-100481-9",

language = "English",

volume = "74",

journal = "European Physical Journal D",

issn = "1434-6060",

publisher = "Springer New York",

number = "5",

}

TY - JOUR

T1 - Electron impact ionization and fragmentation of biofuels

AU - Lopes, M. Cristina A.

AU - Pires, Wesley A.D.

AU - Nixon, Kate L.

AU - Amorim, Raony A.A.

AU - da Silva, Daniel G.M.

AU - Fernandes, Anne C.P.

AU - Ghosh, Santunu

AU - Jones, Darryl B.

AU - Campbell, Laurence

AU - Neves, Rafael F.C.

AU - Duque, Humberto V.

AU - García, Gustavo

AU - Blanco, Francisco

AU - Brunger, Michael J.

PY - 2020/5/1

Y1 - 2020/5/1

N2 - We present in this article, a review of our recent experimental and theoretical studies published in the literature on electron impact ionization and fragmentation of the primary alcohols methanol, ethanol, 1-propanol and 1-butanol (C1–C4). We discuss the mass spectra (MS) of these alcohols, measured for the electron impact energy of 70 eV and also, total (TICS) and partial (PICS) ionization cross sections in the energy range from 10 to 100 eV, which revealed the probability of forming different cations, by either direct or dissociative ionization. These experimental TICS are summarized together with theoretical values, calculated using the Binary-encounter Bethe (BEB) and the independent atom model with the screening corrected additivity rule (IAM-SCAR) methods. Additionally, we compared data of appearance energies – AE and discussed the application of the extended Wannier theory to PICS in order to produce the ionization and ionic fragmentation thresholds for the electron impact of these alcohols.

AB - We present in this article, a review of our recent experimental and theoretical studies published in the literature on electron impact ionization and fragmentation of the primary alcohols methanol, ethanol, 1-propanol and 1-butanol (C1–C4). We discuss the mass spectra (MS) of these alcohols, measured for the electron impact energy of 70 eV and also, total (TICS) and partial (PICS) ionization cross sections in the energy range from 10 to 100 eV, which revealed the probability of forming different cations, by either direct or dissociative ionization. These experimental TICS are summarized together with theoretical values, calculated using the Binary-encounter Bethe (BEB) and the independent atom model with the screening corrected additivity rule (IAM-SCAR) methods. Additionally, we compared data of appearance energies – AE and discussed the application of the extended Wannier theory to PICS in order to produce the ionization and ionic fragmentation thresholds for the electron impact of these alcohols.

KW - electron impact ionization

KW - primary alcohols methanol

KW - mass spectra

KW - electron impact energy

KW - dissociative ionization

KW - direct ionization

KW - MS

KW - TICS

KW - PICS

KW - Binary-encounter Bethe

KW - BEB

KW - appearance energies

KW - AE

KW - Wannier theory

KW - alcohols

UR - http://www.scopus.com/inward/record.url?scp=85084215857&partnerID=8YFLogxK

UR - http://purl.org/au-research/grants/ARC/DP180101655

U2 - 10.1140/epjd/e2020-100481-9

DO - 10.1140/epjd/e2020-100481-9

M3 - Review article

AN - SCOPUS:85084215857

SN - 1434-6060

VL - 74

JO - European Physical Journal D

JF - European Physical Journal D

IS - 5

M1 - 88

ER -

Electron impact ionization and fragmentation of biofuels

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this