A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactor

Daulet Izbassarov; Judit Nyári; Alpo Laitinen; Arto Laari; Annukka Santasalo-Aarnio; Ville Vuorinen

doi:10.1016/j.ces.2022.117765

A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactor

Daulet Izbassarov^*
, Judit Nyári
, Alpo Laitinen
, Arto Laari
, Annukka Santasalo-Aarnio
, Ville Vuorinen

^*Tämän työn vastaava kirjoittaja

Energia- ja konetekniikan laitos

Lappeenranta University of Technology

Tutkimustuotos: Lehtiartikkeli › Article › Scientific › vertaisarvioitu

7 Sitaatiot (Scopus)

363 Lataukset (Pure)

Abstrakti

In this work, a modular millireactor (MMR) is designed and modeled using the computational fluid dynamics (CFD) tool OpenFOAM. First, the method is validated against a conventional packed bed reactor (PBR) model (1D) with Aspen Plus. Next, the method is applied to study the effects of pressure (2–6 MPa) and temperature (483–533 K) on the performance of the MMR. Conjugate heat transfer (CHT) CFD results for the MMR are compared against a corresponding PBR at isothermal conditions. For the MMR, the methanol yield is shown to vary between 9–23 % within the studied parameter range. Overall, the MMR outperforms the PBR at conditions studied in this work. The maximum difference in methanol yield between MMR and the PBR is noted to be a factor of 1.71 at 533 K and 5 MPa. Such a large discrepancy advocates the usage of 3D CHT/CFD.

Alkuperäiskieli	Englanti
Artikkeli	117765
Sivut	1-12
Sivumäärä	12
Julkaisu	Chemical Engineering Science
Vuosikerta	258
DOI - pysyväislinkit	https://doi.org/10.1016/j.ces.2022.117765
Tila	Julkaistu - 31 elok. 2022
OKM-julkaisutyyppi	A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

Rahoitus

The authors acknowledge the Academy of Finland for the support of this research through Grant Nos. 318024, 332835, 333069, and profiling funding 5 for Energy Storage with Grant No. 326346. Business Finland is acknowledged for the main financial support (grant 8797/31/2019) of the P2XEnable project (p2xenable.fi). The project partners are also thanked for their financial contributions. The authors are grateful for the use of the computer facilities within the Aalto University School of Science ”Science-IT” project. The authors wish to acknowledge CSC – IT Center for Science, Finland, for computational resources. We thank Pavel Maksimov for fruitful discussions during the preparation of the manuscript.

YK:n kestävän kehityksen tavoitteet

Tämä tuotos edistää seuraavia kestävän kehityksen tavoitteita:

SDG 13 – Ilmastotoimet

Pääsy asiakirjaan

10.1016/j.ces.2022.117765Lisenssi: CC BY

A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactorFinal published version, 1,62 MBLisenssi: CC BY

Muut tiedostot ja linkit

Linkki julkaisuun Scopuksessa

-: Reaktiivinen virtaus huokoisessa materiaalissa: mallitus ja kokeet atomikerroskasvatuksessa
Vuorinen, V. (Vastuullinen johtaja), Kannan, J. (Projektin jäsen), Karimkashi Arani, S. (Projektin jäsen), Rintanen, A. (Projektin jäsen), Tamadonfar, P. (Projektin jäsen) & Ersavas Isitman, G. (Projektin jäsen)
01/09/2020 → 31/08/2024
Projekti: Academy of Finland: Other research funding
Cool/Kaario: Reacting flow near cool walls
Kaario, O. (Vastuullinen johtaja), Tamadonfar, P. (Projektin jäsen), Cheng, Q. (Projektin jäsen), Yeganeh, M. (Projektin jäsen), Shahanaghi, A. (Projektin jäsen), Kapp, J. (Projektin jäsen), Shahin, Z. (Projektin jäsen), Tamadonfar, P. (Projektin jäsen), Kilic, C. (Projektin jäsen), Salomaa, V.-P. (Projektin jäsen) & Celik, H. (Projektin jäsen)
01/09/2020 → 31/08/2024
Projekti: RCF Academy Project
P2XENABLE: P2XENABLE
Santasalo-Aarnio, A. (Vastuullinen johtaja), Korhonen, M. (Projektin jäsen), Izbassarov, D. (Projektin jäsen), Winiarski, P. (Projektin jäsen), Laitinen, M. (Projektin jäsen), Sayed Ahmed, H. (Projektin jäsen), Pekkinen, S. (Projektin jäsen), Ramesh, R. (Projektin jäsen), Vuorinen, V. (Projektin jäsen) & Nyari, J. (Projektin jäsen)
01/03/2020 → 31/07/2022
Projekti: BF Co-Innovation

Science-IT
Hakala, M. (Manager)
Perustieteiden korkeakoulu
Laitteistot/tilat: Facility

Siteeraa tätä

@article{d4e8d6697bdf497a8c77c5512d4cf400,

title = "A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactor",

abstract = "In this work, a modular millireactor (MMR) is designed and modeled using the computational fluid dynamics (CFD) tool OpenFOAM. First, the method is validated against a conventional packed bed reactor (PBR) model (1D) with Aspen Plus. Next, the method is applied to study the effects of pressure (2–6 MPa) and temperature (483–533 K) on the performance of the MMR. Conjugate heat transfer (CHT) CFD results for the MMR are compared against a corresponding PBR at isothermal conditions. For the MMR, the methanol yield is shown to vary between 9–23 \% within the studied parameter range. Overall, the MMR outperforms the PBR at conditions studied in this work. The maximum difference in methanol yield between MMR and the PBR is noted to be a factor of 1.71 at 533 K and 5 MPa. Such a large discrepancy advocates the usage of 3D CHT/CFD.",

keywords = "Aspen Plus, CO hydrogenation, Methanol synthesis, Modular millireactor, OpenFOAM",

author = "Daulet Izbassarov and Judit Ny{\'a}ri and Alpo Laitinen and Arto Laari and Annukka Santasalo-Aarnio and Ville Vuorinen",

note = "Funding Information: The authors acknowledge the Academy of Finland for the support of this research through Grant Nos. 318024, 332835, 333069, and profiling funding 5 for Energy Storage with Grant No. 326346. Business Finland is acknowledged for the main financial support (grant 8797/31/2019) of the P2XEnable project (p2xenable.fi). The project partners are also thanked for their financial contributions. The authors are grateful for the use of the computer facilities within the Aalto University School of Science ”Science-IT” project. The authors wish to acknowledge CSC – IT Center for Science, Finland, for computational resources. We thank Pavel Maksimov for fruitful discussions during the preparation of the manuscript. Publisher Copyright: {\textcopyright} 2022 The Authors",

year = "2022",

month = aug,

day = "31",

doi = "10.1016/j.ces.2022.117765",

language = "English",

volume = "258",

pages = "1--12",

journal = "Chemical Engineering Science",

issn = "0009-2509",

publisher = "Elsevier",

}

TY - JOUR

T1 - A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactor

AU - Izbassarov, Daulet

AU - Nyári, Judit

AU - Laitinen, Alpo

AU - Laari, Arto

AU - Santasalo-Aarnio, Annukka

AU - Vuorinen, Ville

N1 - Funding Information: The authors acknowledge the Academy of Finland for the support of this research through Grant Nos. 318024, 332835, 333069, and profiling funding 5 for Energy Storage with Grant No. 326346. Business Finland is acknowledged for the main financial support (grant 8797/31/2019) of the P2XEnable project (p2xenable.fi). The project partners are also thanked for their financial contributions. The authors are grateful for the use of the computer facilities within the Aalto University School of Science ”Science-IT” project. The authors wish to acknowledge CSC – IT Center for Science, Finland, for computational resources. We thank Pavel Maksimov for fruitful discussions during the preparation of the manuscript. Publisher Copyright: © 2022 The Authors

PY - 2022/8/31

Y1 - 2022/8/31

N2 - In this work, a modular millireactor (MMR) is designed and modeled using the computational fluid dynamics (CFD) tool OpenFOAM. First, the method is validated against a conventional packed bed reactor (PBR) model (1D) with Aspen Plus. Next, the method is applied to study the effects of pressure (2–6 MPa) and temperature (483–533 K) on the performance of the MMR. Conjugate heat transfer (CHT) CFD results for the MMR are compared against a corresponding PBR at isothermal conditions. For the MMR, the methanol yield is shown to vary between 9–23 % within the studied parameter range. Overall, the MMR outperforms the PBR at conditions studied in this work. The maximum difference in methanol yield between MMR and the PBR is noted to be a factor of 1.71 at 533 K and 5 MPa. Such a large discrepancy advocates the usage of 3D CHT/CFD.

AB - In this work, a modular millireactor (MMR) is designed and modeled using the computational fluid dynamics (CFD) tool OpenFOAM. First, the method is validated against a conventional packed bed reactor (PBR) model (1D) with Aspen Plus. Next, the method is applied to study the effects of pressure (2–6 MPa) and temperature (483–533 K) on the performance of the MMR. Conjugate heat transfer (CHT) CFD results for the MMR are compared against a corresponding PBR at isothermal conditions. For the MMR, the methanol yield is shown to vary between 9–23 % within the studied parameter range. Overall, the MMR outperforms the PBR at conditions studied in this work. The maximum difference in methanol yield between MMR and the PBR is noted to be a factor of 1.71 at 533 K and 5 MPa. Such a large discrepancy advocates the usage of 3D CHT/CFD.

KW - Aspen Plus

KW - CO hydrogenation

KW - Methanol synthesis

KW - Modular millireactor

KW - OpenFOAM

UR - https://www.scopus.com/pages/publications/85131910235

U2 - 10.1016/j.ces.2022.117765

DO - 10.1016/j.ces.2022.117765

M3 - Article

AN - SCOPUS:85131910235

SN - 0009-2509

VL - 258

SP - 1

EP - 12

JO - Chemical Engineering Science

JF - Chemical Engineering Science

M1 - 117765

ER -

A three-dimensional conjugate heat transfer model for methanol synthesis in a modular millireactor

Abstrakti

Rahoitus

YK:n kestävän kehityksen tavoitteet

Pääsy asiakirjaan

Muut tiedostot ja linkit

Sormenjälki

Projektit

-: Reaktiivinen virtaus huokoisessa materiaalissa: mallitus ja kokeet atomikerroskasvatuksessa

Cool/Kaario: Reacting flow near cool walls

P2XENABLE: P2XENABLE

Laitteet

Science-IT

Siteeraa tätä