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Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method. / Mammadhasanov, K. K.; Seyidova, S. A.; Ibrahimova, M. D.; Abbasov, V. M.; Huseynov, H. J.; Komolkin, A. V.

In: Modern Physics Letters B, Vol. 37, No. 30, 2350139, 30.10.2023.

Research output: Contribution to journal › Article › peer-review

Harvard

Mammadhasanov, KK, Seyidova, SA, Ibrahimova, MD, Abbasov, VM, Huseynov, HJ & Komolkin, AV 2023, 'Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method', Modern Physics Letters B, vol. 37, no. 30, 2350139. https://doi.org/10.1142/s0217984923501397, https://doi.org/10.1142/s0217984923501397

APA

Mammadhasanov, K. K., Seyidova, S. A., Ibrahimova, M. D., Abbasov, V. M., Huseynov, H. J., & Komolkin, A. V. (2023). Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method. Modern Physics Letters B, 37(30), [2350139]. https://doi.org/10.1142/s0217984923501397, https://doi.org/10.1142/s0217984923501397

Vancouver

Mammadhasanov KK, Seyidova SA, Ibrahimova MD, Abbasov VM, Huseynov HJ, Komolkin AV. Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method. Modern Physics Letters B. 2023 Oct 30;37(30). 2350139. https://doi.org/10.1142/s0217984923501397, https://doi.org/10.1142/s0217984923501397

Author

Mammadhasanov, K. K. ; Seyidova, S. A. ; Ibrahimova, M. D. ; Abbasov, V. M. ; Huseynov, H. J. ; Komolkin, A. V. / Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method. In: Modern Physics Letters B. 2023 ; Vol. 37, No. 30.

BibTeX

@article{493ed46870fb4286afd46e5c8c349f6f,
title = "Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method",
abstract = "This paper deals with the results of simulation of extractive purification process of model diesel fuel (the mixture of n-hexane with thiophene and m-xylene) by molecular dynamics simulation using N-methylpyrrolidinium acetate ionic liquid as an extractant. The extractive purification process was simulated for several model fuel systems with different concentrations of sulfur and aromatic containing components. The ionic liquid exhibits high extractive ability, the degrees of desulfurization and dearomatization reach 85-90 and 60 wt.%, respectively. The results were proved by experimental studies of a mixture by the ionic liquid. After 1 h of contact of the ionic liquid and the model mixture, the degree of purification against thiophene was 94.2 wt.%.",
keywords = "Model diesel fuel, diffusion coefficient, extraction, ionic liquid, molecular dynamics, simulation, thiophene",
author = "K. K. Mammadhasanov and S. A. Seyidova and M. D. Ibrahimova and V. M. Abbasov and H. J. Huseynov and A. V. Komolkin",
year = "2023",
month = oct,
day = "30",
doi = "10.1142/s0217984923501397",
language = "English",
volume = "37",
journal = "Modern Physics Letters B",
issn = "0217-9849",
publisher = "WORLD SCIENTIFIC PUBL CO PTE LTD",
number = "30",

}

RIS

TY - JOUR

T1 - Simulation of ionic-liquid extractive purification process of thiophene and m-xylene from their mixture with n-hexane by the molecular dynamics method

AU - Mammadhasanov, K. K.

AU - Seyidova, S. A.

AU - Ibrahimova, M. D.

AU - Abbasov, V. M.

AU - Huseynov, H. J.

AU - Komolkin, A. V.

PY - 2023/10/30

Y1 - 2023/10/30

N2 - This paper deals with the results of simulation of extractive purification process of model diesel fuel (the mixture of n-hexane with thiophene and m-xylene) by molecular dynamics simulation using N-methylpyrrolidinium acetate ionic liquid as an extractant. The extractive purification process was simulated for several model fuel systems with different concentrations of sulfur and aromatic containing components. The ionic liquid exhibits high extractive ability, the degrees of desulfurization and dearomatization reach 85-90 and 60 wt.%, respectively. The results were proved by experimental studies of a mixture by the ionic liquid. After 1 h of contact of the ionic liquid and the model mixture, the degree of purification against thiophene was 94.2 wt.%.

AB - This paper deals with the results of simulation of extractive purification process of model diesel fuel (the mixture of n-hexane with thiophene and m-xylene) by molecular dynamics simulation using N-methylpyrrolidinium acetate ionic liquid as an extractant. The extractive purification process was simulated for several model fuel systems with different concentrations of sulfur and aromatic containing components. The ionic liquid exhibits high extractive ability, the degrees of desulfurization and dearomatization reach 85-90 and 60 wt.%, respectively. The results were proved by experimental studies of a mixture by the ionic liquid. After 1 h of contact of the ionic liquid and the model mixture, the degree of purification against thiophene was 94.2 wt.%.

KW - Model diesel fuel

KW - diffusion coefficient

KW - extraction

KW - ionic liquid

KW - molecular dynamics

KW - simulation

KW - thiophene

UR - https://www.mendeley.com/catalogue/d1ae0717-11a8-3caa-a18b-c4af4db902de/

U2 - 10.1142/s0217984923501397

DO - 10.1142/s0217984923501397

M3 - Article

VL - 37

JO - Modern Physics Letters B

JF - Modern Physics Letters B

SN - 0217-9849

IS - 30

M1 - 2350139

ER -

ID: 111099657