A REPORT ON NUMERICAL ANOMALY IN DIFFUSION CALCULATION AT FLUID/POROUS MEDIA INTERFACES USING COMMERCIAL ANSYS FLUENT SOFTWARE

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2023 Vol.28, Issue 4 Preview Page Next Page

A REPORT ON NUMERICAL ANOMALY IN DIFFUSION CALCULATION AT FLUID/POROUS MEDIA INTERFACES USING COMMERCIAL ANSYS FLUENT SOFTWARE 상용 ANSYS Fluent 소프트웨어 사용시 유체/다공성 영역 경계에서의 확산계산 수치이상 보고: 오윤석,¹ 남진현^*2
Yun Seok Oh¹ and Jin-Hyun Nam^*2; ¹서울대학교 대학원 기계공학부, ²대구대학교 기계자동차공학부

¹Graduate School, Dept. of Mechanical Engineering, Seoul National Univ.
²School of Mechanical and Automotive Engineering, Daegu Univ.

31 December 2023. pp. 27-36

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Abstract

This paper reports a numerical anomaly in ANSYS Fluent solution identified during the CFD simulation of plate-type steam/methane reformers with porous washcoat catalyst layers. When the diffusion coefficients in the fluid region and the neighboring porous region differ significantly, by one or two orders of magnitude, a non-negligible discontinuity in the species mole fraction is observed at the interface of the two regions. Further simulations showed that the observed numerical anomaly universally occurs in the simulation of similar catalytic plate reactors and the discontinuity increases as the cell sizes of the fluid and porous regions increase. Finally, methods to circumvent the numerical anomaly were explored and reported.

Keywords

전산유체역학(CFD)

화학반응(Chemical Reaction)

수증기/메탄 개질(Steam/Methane Reforming)

확산계산(Diffusion Calculation)

다공성 매질(Porous Media)

수치적 이상거동(Numerical Anomaly)

References

2017, Hussain, A., Arif, S.M. and Aslam, M., "Emerging renewable and sustainable energy technologies: State of the art," Renew. Sustain. Energy Rev., Vol.71, pp.12-28.Chem. Eng. Sci.
2021, Yue, M., Lambert, H., Pahon, E., Roche, R., Jemei, S. and Hissel, D., "Hydrogen energy systems: A critical review of technologies, applications, trends and challenges," Renew. Sustain. Energy Rev., Vol.146, p.111180.https://doi.org/10.1016/j.rser.2021.111180
2021, Egeland-Eriksen, T., Hajizadeh, A. and Sartori, S., "Hydrogen-based systems for integration of renewable energy in power systems: Achievements and perspectives," Int. J. Hydrogen Energy, Vol.46, No.63, pp.31963-31983.https://doi.org/10.1016/j.ijhydene.2021.06.218
2020, Meloni, E., Martino, M. and Palma, V., "A short review on Ni based catalysts and related engineering issues for methane steam reforming," Catalysts, Vol.10, No.3, p.352.https://doi.org/10.3390/catal10030352
2020, Bae, S., Lee, E. and Han, J., "Multi-period planning of hydrogen supply network for refuelling hydrogen fuel cell vehicles in urban areas," Sustainability, Vol.12, No.10, p.4114.https://doi.org/10.3390/su12104114
2022, Yun, S., Cho, H., Kim, M., Lee, J. and Kim, J., "Exergy analysis and heat exchanger network synthesis for improvement of a hydrogen production process: Practical application to on-site hydrogen refueling stations," Trans. Kor. Hydrogen New Energy Soc., Vol.33, No.5, pp.515-524.https://doi.org/10.7316/KHNES.2022.33.5.515
2018, Jeong, A., Shin, D., Baek, S.M. and Nam, J.H., "Effectiveness factor correlations from simulations of washcoat nickel catalyst layers in small-scale steam methane reformer applications," Int. J. Hydrogen Energy, Vol.43, No.32, pp.15398-15411.https://doi.org/10.1016/j.ijhydene.2018.06.059
2021, Oh, Y.S. and Nam, J.H., "A numerical study on the active reaction thickness of nickel catalyst layers used in a low-pressure steam methane reforming process," Int. J. Hydrogen Energy, Vol.46, No.11, pp.7712-7721.https://doi.org/10.1016/j.ijhydene.2020.11.280
2022, Oh, Y.S., Jeong, A. and Nam, J.H., "Efficient computational fluid dynamics model for microchannel-type steam/methane reformers with nickel washcoat catalyst layers based on effectiveness factor correlations," Trans. Kor. Hydrogen New Energy Soc., Vol.33, No.6, pp.749-760.https://doi.org/10.7316/KHNES.2022.33.6.749
2023, Oh, Y.S., Lee, D.H. and Nam, J.H., "Development of simplified one-dimensional model for microchannel steam/methane reformers based on catalyst effectiveness factor correlations," New & Renew. Energy, Vol.19, No.2, pp.1-12.https://doi.org/10.7849/ksnre.2023.0001
2023, Lee, D.H., Oh, Y.S., Nam, J.H. and Kim C.J., "Development of an efficient analysis model for microchannel steam/methane reformers and parametric study," Trans. Kor. Soc. Mech. Eng. B, Vo1.47, No.10, pp.527-541.https://doi.org/10.3795/KSME-B.2023.47.10.527
2022, ANSYS Fluent User’s Guide, Release 2022R1, ANSYS Inc., Canonsburg.
2020, Park, J.Y., Sohn D.Y. and Choi Y.H., "A numerical study for performance improvement of vanadium redox flow battery," J. Comput. Fluids Eng., Vo.25, No.1, pp.55-61.https://doi.org/10.6112/kscfe.2020.25.1.055
2022, Park, K., Choi, G., Shin, S. and Lee, H., "Numerical study of heat transfer from solar heat flux distributions in concentrating solar power system," J. Comput. Fluids Eng., Vo.27, No.1, pp.26-37.https://doi.org/10.6112/kscfe.2022.27.1.026
2022, Zang, K.Z. and Chang, S.M., "Thermal and hydraulic performance of the offset strip fins installed in water channel of a cooling plate for batteries of electric vehicles," J. Comput. Fluids Eng., Vol.27, No.3, pp.35-42.https://doi.org/10.6112/kscfe.2022.27.3.035
2013, Murphy, D.M., Manerbino, A., Parker, M., Blasi, J., Kee, R.J., Sullivan, N.P., "Methane steam reforming in a novel ceramic microchannel reactor," Int. J. Hydrogen Energy, Vol.38, No.21, pp.8741-8750.https://doi.org/10.1016/j.ijhydene.2013.05.014
2003, Larminie, J. and Dicks, A., Fuel Cell Systems Explained, 2nd Ed., John Wiley & Sons, Chichester.
2016, O’Hayre, R., Cha, S.W., Colella, W. and Prinz, F.B., Fuel Cell Fundamentals, 3rd Ed., John Wiley & Sons, New Jersey.
1989, Xu, J. and Froment, G.F., "Methane steam reforming, methanation and water gas shift: I. intrinsic kinetics," AIChE J., Vol.35, No.1, pp.88-96.https://doi.org/10.1002/aic.690350109
1989, Xu, J. and Froment, G.F., "Methane steam reforming: II. Diffusional limitations and reactor simulation," AIChE J., Vol.35, No.1, pp.97-103.https://doi.org/10.1002/aic.690350110
2001, Bird, R.B., Stewart, W.E. and Lightfoot, E.N., Transport Phenomena, 2nd Ed., John Wiley & Sons, New York.
1966, Fuller, E.N., Schettler. P.D. and Giddings, J.C., "A new method for prediction of binary gas-phase diffusion coefficients," Ind. & Eng. Chem., Vol.58, No.5, pp.18-27.https://doi.org/10.1021/ie50677a007
1969, Fuller, E.N., Ensley, K. and Giddings, J.C., "Diffusion of halogenated hydrocarbons in helium. The effect of structure on collision cross sections," J. Phys. Chem., Vol.73, No.11, pp.3679-3685.https://doi.org/10.1021/j100845a020
2002, Todd, B. and Young, J.B., "Thermodynamic and transport properties of gases for use in solid oxide fuel cell modelling," J. Power Sources, Vol.110, No.1, pp.186-200.https://doi.org/10.1016/S0378-7753(02)00277-X
1999, Kaviany, M., Principles of Heat Transfer in Porous Media, 2nd Ed., Springer, New York.
2003, Zanfir, M. and Gavriilidis, A., "Catalytic combustion assisted methane steam reforming in a catalytic plate reactor," Chem. Eng. Sci., Vol.58, No.17, pp.3947-3960.https://doi.org/10.1016/S0009-2509(03)00279-3

Information

Publisher :Korean Society for Computational Fluids Engineering
Publisher(Ko) :한국전산유체공학회
Journal Title :Journal of Computational Fluids Engineering
Journal Title(Ko) :한국전산유체공학회지
Volume : 28
No :4
Pages :27-36

[1] 2017, Hussain, A., Arif, S.M. and Aslam, M., "Emerging renewable and sustainable energy technologies: State of the art," Renew. Sustain. Energy Rev., Vol.71, pp.12-28.Chem. Eng. Sci.

[2] 2021, Yue, M., Lambert, H., Pahon, E., Roche, R., Jemei, S. and Hissel, D., "Hydrogen energy systems: A critical review of technologies, applications, trends and challenges," Renew. Sustain. Energy Rev., Vol.146, p.111180.https://doi.org/10.1016/j.rser.2021.111180

[3] 2021, Egeland-Eriksen, T., Hajizadeh, A. and Sartori, S., "Hydrogen-based systems for integration of renewable energy in power systems: Achievements and perspectives," Int. J. Hydrogen Energy, Vol.46, No.63, pp.31963-31983.https://doi.org/10.1016/j.ijhydene.2021.06.218

[4] 2020, Meloni, E., Martino, M. and Palma, V., "A short review on Ni based catalysts and related engineering issues for methane steam reforming," Catalysts, Vol.10, No.3, p.352.https://doi.org/10.3390/catal10030352

[5] 2020, Bae, S., Lee, E. and Han, J., "Multi-period planning of hydrogen supply network for refuelling hydrogen fuel cell vehicles in urban areas," Sustainability, Vol.12, No.10, p.4114.https://doi.org/10.3390/su12104114

[6] 2022, Yun, S., Cho, H., Kim, M., Lee, J. and Kim, J., "Exergy analysis and heat exchanger network synthesis for improvement of a hydrogen production process: Practical application to on-site hydrogen refueling stations," Trans. Kor. Hydrogen New Energy Soc., Vol.33, No.5, pp.515-524.https://doi.org/10.7316/KHNES.2022.33.5.515

[7] 2018, Jeong, A., Shin, D., Baek, S.M. and Nam, J.H., "Effectiveness factor correlations from simulations of washcoat nickel catalyst layers in small-scale steam methane reformer applications," Int. J. Hydrogen Energy, Vol.43, No.32, pp.15398-15411.https://doi.org/10.1016/j.ijhydene.2018.06.059

[8] 2021, Oh, Y.S. and Nam, J.H., "A numerical study on the active reaction thickness of nickel catalyst layers used in a low-pressure steam methane reforming process," Int. J. Hydrogen Energy, Vol.46, No.11, pp.7712-7721.https://doi.org/10.1016/j.ijhydene.2020.11.280

[9] 2022, Oh, Y.S., Jeong, A. and Nam, J.H., "Efficient computational fluid dynamics model for microchannel-type steam/methane reformers with nickel washcoat catalyst layers based on effectiveness factor correlations," Trans. Kor. Hydrogen New Energy Soc., Vol.33, No.6, pp.749-760.https://doi.org/10.7316/KHNES.2022.33.6.749

[10] 2023, Oh, Y.S., Lee, D.H. and Nam, J.H., "Development of simplified one-dimensional model for microchannel steam/methane reformers based on catalyst effectiveness factor correlations," New & Renew. Energy, Vol.19, No.2, pp.1-12.https://doi.org/10.7849/ksnre.2023.0001

[11] 2023, Lee, D.H., Oh, Y.S., Nam, J.H. and Kim C.J., "Development of an efficient analysis model for microchannel steam/methane reformers and parametric study," Trans. Kor. Soc. Mech. Eng. B, Vo1.47, No.10, pp.527-541.https://doi.org/10.3795/KSME-B.2023.47.10.527

[12] 2022, ANSYS Fluent User’s Guide, Release 2022R1, ANSYS Inc., Canonsburg.

[13] 2020, Park, J.Y., Sohn D.Y. and Choi Y.H., "A numerical study for performance improvement of vanadium redox flow battery," J. Comput. Fluids Eng., Vo.25, No.1, pp.55-61.https://doi.org/10.6112/kscfe.2020.25.1.055

[14] 2022, Park, K., Choi, G., Shin, S. and Lee, H., "Numerical study of heat transfer from solar heat flux distributions in concentrating solar power system," J. Comput. Fluids Eng., Vo.27, No.1, pp.26-37.https://doi.org/10.6112/kscfe.2022.27.1.026

[15] 2022, Zang, K.Z. and Chang, S.M., "Thermal and hydraulic performance of the offset strip fins installed in water channel of a cooling plate for batteries of electric vehicles," J. Comput. Fluids Eng., Vol.27, No.3, pp.35-42.https://doi.org/10.6112/kscfe.2022.27.3.035

[16] 2013, Murphy, D.M., Manerbino, A., Parker, M., Blasi, J., Kee, R.J., Sullivan, N.P., "Methane steam reforming in a novel ceramic microchannel reactor," Int. J. Hydrogen Energy, Vol.38, No.21, pp.8741-8750.https://doi.org/10.1016/j.ijhydene.2013.05.014

[17] 2003, Larminie, J. and Dicks, A., Fuel Cell Systems Explained, 2nd Ed., John Wiley & Sons, Chichester.

[18] 2016, O’Hayre, R., Cha, S.W., Colella, W. and Prinz, F.B., Fuel Cell Fundamentals, 3rd Ed., John Wiley & Sons, New Jersey.

[19] 1989, Xu, J. and Froment, G.F., "Methane steam reforming, methanation and water gas shift: I. intrinsic kinetics," AIChE J., Vol.35, No.1, pp.88-96.https://doi.org/10.1002/aic.690350109

[20] 1989, Xu, J. and Froment, G.F., "Methane steam reforming: II. Diffusional limitations and reactor simulation," AIChE J., Vol.35, No.1, pp.97-103.https://doi.org/10.1002/aic.690350110

[21] 2001, Bird, R.B., Stewart, W.E. and Lightfoot, E.N., Transport Phenomena, 2nd Ed., John Wiley & Sons, New York.

[22] 1966, Fuller, E.N., Schettler. P.D. and Giddings, J.C., "A new method for prediction of binary gas-phase diffusion coefficients," Ind. & Eng. Chem., Vol.58, No.5, pp.18-27.https://doi.org/10.1021/ie50677a007

[23] 1969, Fuller, E.N., Ensley, K. and Giddings, J.C., "Diffusion of halogenated hydrocarbons in helium. The effect of structure on collision cross sections," J. Phys. Chem., Vol.73, No.11, pp.3679-3685.https://doi.org/10.1021/j100845a020

[24] 2002, Todd, B. and Young, J.B., "Thermodynamic and transport properties of gases for use in solid oxide fuel cell modelling," J. Power Sources, Vol.110, No.1, pp.186-200.https://doi.org/10.1016/S0378-7753(02)00277-X

[25] 1999, Kaviany, M., Principles of Heat Transfer in Porous Media, 2nd Ed., Springer, New York.

[26] 2003, Zanfir, M. and Gavriilidis, A., "Catalytic combustion assisted methane steam reforming in a catalytic plate reactor," Chem. Eng. Sci., Vol.58, No.17, pp.3947-3960.https://doi.org/10.1016/S0009-2509(03)00279-3

Journal of Computational Fluids Engineering ISSN:1598-6071(Print) 3022-6252(Online) 한국전산유체공학회지

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