Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces

Li Na; Han Lu; Guo Xin; Tao Zhiping; Long Jun

doi:doi:10.11648/j.ogce.20200802.13

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Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces

Li Na, Han Lu, Guo Xin, Tao Zhiping, Long Jun

Published in International Journal of Oil, Gas and Coal Engineering (Volume 8, Issue 2)

Received: 9 April 2020 Accepted: Published: 29 May 2020

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Abstract

Using molecular simulation technology based on classical mechanic methods, the physical adsorption conformation of the representative conventional gasoline molecule, ethanol molecule and its oxidation intermediates, including acetaldehyde and acetic acid, on different metal surfaces was performed. Furthermore, the interaction energy composed of van der Waals and electrostatic between the absorbed molecules and the metal surfaces was calculated to study the influence of ethanol gasoline on the metal materials in comparison with the conventional gasoline. The results concluded that iron is the most likely to make strong physical adsorption with organic molecules than other surfaces, whether it is conventional gasoline molecule or ethanol molecule, or the oxidation intermediates. It may be related to the crystal configuration, coordination, atomic electron distribution and orbitals distribution of iron surface. The most stable among the studied surfaces is copper, followed by aluminum. Acid molecules, due to the presence of carboxyl group, are the most prone to form strong adsorption on the metal surfaces. The functional additives, such as antioxidant, stabilizer, detergent, dispersant or corrosion inhibitor, were critical for ethanol gasoline to avoid the undesirable influences. ESP distribution and the charges of the module molecules were calculated to make further analysis based on quantum theory.

Published in	International Journal of Oil, Gas and Coal Engineering (Volume 8, Issue 2)
DOI	10.11648/j.ogce.20200802.13
Page(s)	47-52
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2024. Published by Science Publishing Group

Keywords

Ethanol Gasoline, Physical Adsorption, Metal Surface, Molecular Simulation

References

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APA Style

Li Na, Han Lu, Guo Xin, Tao Zhiping, Long Jun. (2020). Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. International Journal of Oil, Gas and Coal Engineering, 8(2), 47-52. https://doi.org/10.11648/j.ogce.20200802.13

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ACS Style

Li Na; Han Lu; Guo Xin; Tao Zhiping; Long Jun. Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. Int. J. Oil Gas Coal Eng. 2020, 8(2), 47-52. doi: 10.11648/j.ogce.20200802.13

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AMA Style

Li Na, Han Lu, Guo Xin, Tao Zhiping, Long Jun. Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. Int J Oil Gas Coal Eng. 2020;8(2):47-52. doi: 10.11648/j.ogce.20200802.13

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@article{10.11648/j.ogce.20200802.13,
  author = {Li Na and Han Lu and Guo Xin and Tao Zhiping and Long Jun},
  title = {Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces},
  journal = {International Journal of Oil, Gas and Coal Engineering},
  volume = {8},
  number = {2},
  pages = {47-52},
  doi = {10.11648/j.ogce.20200802.13},
  url = {https://doi.org/10.11648/j.ogce.20200802.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ogce.20200802.13},
  abstract = {Using molecular simulation technology based on classical mechanic methods, the physical adsorption conformation of the representative conventional gasoline molecule, ethanol molecule and its oxidation intermediates, including acetaldehyde and acetic acid, on different metal surfaces was performed. Furthermore, the interaction energy composed of van der Waals and electrostatic between the absorbed molecules and the metal surfaces was calculated to study the influence of ethanol gasoline on the metal materials in comparison with the conventional gasoline. The results concluded that iron is the most likely to make strong physical adsorption with organic molecules than other surfaces, whether it is conventional gasoline molecule or ethanol molecule, or the oxidation intermediates. It may be related to the crystal configuration, coordination, atomic electron distribution and orbitals distribution of iron surface. The most stable among the studied surfaces is copper, followed by aluminum. Acid molecules, due to the presence of carboxyl group, are the most prone to form strong adsorption on the metal surfaces. The functional additives, such as antioxidant, stabilizer, detergent, dispersant or corrosion inhibitor, were critical for ethanol gasoline to avoid the undesirable influences. ESP distribution and the charges of the module molecules were calculated to make further analysis based on quantum theory.},
 year = {2020}
}

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TY  - JOUR
T1  - Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces
AU  - Li Na
AU  - Han Lu
AU  - Guo Xin
AU  - Tao Zhiping
AU  - Long Jun
Y1  - 2020/05/29
PY  - 2020
N1  - https://doi.org/10.11648/j.ogce.20200802.13
DO  - 10.11648/j.ogce.20200802.13
T2  - International Journal of Oil, Gas and Coal Engineering
JF  - International Journal of Oil, Gas and Coal Engineering
JO  - International Journal of Oil, Gas and Coal Engineering
SP  - 47
EP  - 52
PB  - Science Publishing Group
SN  - 2376-7677
UR  - https://doi.org/10.11648/j.ogce.20200802.13
AB  - Using molecular simulation technology based on classical mechanic methods, the physical adsorption conformation of the representative conventional gasoline molecule, ethanol molecule and its oxidation intermediates, including acetaldehyde and acetic acid, on different metal surfaces was performed. Furthermore, the interaction energy composed of van der Waals and electrostatic between the absorbed molecules and the metal surfaces was calculated to study the influence of ethanol gasoline on the metal materials in comparison with the conventional gasoline. The results concluded that iron is the most likely to make strong physical adsorption with organic molecules than other surfaces, whether it is conventional gasoline molecule or ethanol molecule, or the oxidation intermediates. It may be related to the crystal configuration, coordination, atomic electron distribution and orbitals distribution of iron surface. The most stable among the studied surfaces is copper, followed by aluminum. Acid molecules, due to the presence of carboxyl group, are the most prone to form strong adsorption on the metal surfaces. The functional additives, such as antioxidant, stabilizer, detergent, dispersant or corrosion inhibitor, were critical for ethanol gasoline to avoid the undesirable influences. ESP distribution and the charges of the module molecules were calculated to make further analysis based on quantum theory.
VL  - 8
IS  - 2
ER  -

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Author Information

Li Na

Research Institute of Petroleum Processing, Beijing, China
Han Lu

Research Institute of Petroleum Processing, Beijing, China
Guo Xin

Research Institute of Petroleum Processing, Beijing, China
Tao Zhiping

Research Institute of Petroleum Processing, Beijing, China
Long Jun

Research Institute of Petroleum Processing, Beijing, China

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Plain Text BibTeX RIS

APA Style

Li Na, Han Lu, Guo Xin, Tao Zhiping, Long Jun. (2020). Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. International Journal of Oil, Gas and Coal Engineering, 8(2), 47-52. https://doi.org/10.11648/j.ogce.20200802.13

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ACS Style

Li Na; Han Lu; Guo Xin; Tao Zhiping; Long Jun. Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. Int. J. Oil Gas Coal Eng. 2020, 8(2), 47-52. doi: 10.11648/j.ogce.20200802.13

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AMA Style

Li Na, Han Lu, Guo Xin, Tao Zhiping, Long Jun. Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces. Int J Oil Gas Coal Eng. 2020;8(2):47-52. doi: 10.11648/j.ogce.20200802.13

Copy | Download

@article{10.11648/j.ogce.20200802.13,
  author = {Li Na and Han Lu and Guo Xin and Tao Zhiping and Long Jun},
  title = {Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces},
  journal = {International Journal of Oil, Gas and Coal Engineering},
  volume = {8},
  number = {2},
  pages = {47-52},
  doi = {10.11648/j.ogce.20200802.13},
  url = {https://doi.org/10.11648/j.ogce.20200802.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.ogce.20200802.13},
  abstract = {Using molecular simulation technology based on classical mechanic methods, the physical adsorption conformation of the representative conventional gasoline molecule, ethanol molecule and its oxidation intermediates, including acetaldehyde and acetic acid, on different metal surfaces was performed. Furthermore, the interaction energy composed of van der Waals and electrostatic between the absorbed molecules and the metal surfaces was calculated to study the influence of ethanol gasoline on the metal materials in comparison with the conventional gasoline. The results concluded that iron is the most likely to make strong physical adsorption with organic molecules than other surfaces, whether it is conventional gasoline molecule or ethanol molecule, or the oxidation intermediates. It may be related to the crystal configuration, coordination, atomic electron distribution and orbitals distribution of iron surface. The most stable among the studied surfaces is copper, followed by aluminum. Acid molecules, due to the presence of carboxyl group, are the most prone to form strong adsorption on the metal surfaces. The functional additives, such as antioxidant, stabilizer, detergent, dispersant or corrosion inhibitor, were critical for ethanol gasoline to avoid the undesirable influences. ESP distribution and the charges of the module molecules were calculated to make further analysis based on quantum theory.},
 year = {2020}
}

Copy | Download

TY  - JOUR
T1  - Study of Physical Adsorption for Ethanol Gasoline on Metal Surfaces
AU  - Li Na
AU  - Han Lu
AU  - Guo Xin
AU  - Tao Zhiping
AU  - Long Jun
Y1  - 2020/05/29
PY  - 2020
N1  - https://doi.org/10.11648/j.ogce.20200802.13
DO  - 10.11648/j.ogce.20200802.13
T2  - International Journal of Oil, Gas and Coal Engineering
JF  - International Journal of Oil, Gas and Coal Engineering
JO  - International Journal of Oil, Gas and Coal Engineering
SP  - 47
EP  - 52
PB  - Science Publishing Group
SN  - 2376-7677
UR  - https://doi.org/10.11648/j.ogce.20200802.13
AB  - Using molecular simulation technology based on classical mechanic methods, the physical adsorption conformation of the representative conventional gasoline molecule, ethanol molecule and its oxidation intermediates, including acetaldehyde and acetic acid, on different metal surfaces was performed. Furthermore, the interaction energy composed of van der Waals and electrostatic between the absorbed molecules and the metal surfaces was calculated to study the influence of ethanol gasoline on the metal materials in comparison with the conventional gasoline. The results concluded that iron is the most likely to make strong physical adsorption with organic molecules than other surfaces, whether it is conventional gasoline molecule or ethanol molecule, or the oxidation intermediates. It may be related to the crystal configuration, coordination, atomic electron distribution and orbitals distribution of iron surface. The most stable among the studied surfaces is copper, followed by aluminum. Acid molecules, due to the presence of carboxyl group, are the most prone to form strong adsorption on the metal surfaces. The functional additives, such as antioxidant, stabilizer, detergent, dispersant or corrosion inhibitor, were critical for ethanol gasoline to avoid the undesirable influences. ESP distribution and the charges of the module molecules were calculated to make further analysis based on quantum theory.
VL  - 8
IS  - 2
ER  -

Copy | Download