화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Journal of Industrial and Engineering Chemistry, Vol.85, 170-180, May, 2020
DOI10.1016/j.jiec.2020.01.038  Export Citation
A critical analysis of transport models for refueling of MOF-5 based hydrogen adsorption system
P. Sridhar, and Niket S. Kaisare†
  • Department of Chemical Engineering, Indian Institute of Technology Madras, Chennai 600036, India
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This work presents a critical analysis of 2D model of refueling a hydrogen storage tank containing MOF-5 adsorbent under cryogenic and room temperature conditions. Three isotherm models, viz. Unilan, modified Dubinin.Astakhov DA and Toth, were fitted with experimental data of hydrogen adsorption from the literature, and their effect on refueling of adsorbent bed is analyzed. The choice of isotherm has the greatest impact on predicting refueling behavior, for both flow-through and end-flow (i.e., batch) systems. A comparison between the ideal gas assumption and virial equation of state indicates that the former reasonably captures the overall behavior at lower computational cost. Analysis of the role of momentum balance, solved as full Navier.Stokes model and with Darcy’s approximation, indicates same hydrogen uptake in the adsorbent bed and only a minor difference in the predicted velocity profiles. Finally, effect of temperature-dependent physical properties of gas, adsorbent and walls is analyzed.
Keywords:Hydrogen storage;MOF-5;Adsorption;Finite element method;Momentum transport
  1. Ball M, Weeda M, Int. J. Hydrog. Energy, 40(25), 7903 (2015)
  2. Durbin DJ, Malardier-Jugroot C, Int. J. Hydrog. Energy, 38(34), 14595 (2013)
  3. Paggiaro RG, PhD Thesis, Technical University of Munich, Germany, 2008.
  4. Zhou L, Renew. Sust. Energ. Rev., 9, 395 (2005)
  5. Kumar VS, Raghunathan K, Kumar S, Int. J. Hydrog. Energy, 34(13), 5466 (2009)
  6. Morris RE, Wheatley PS, Gas Storage Mater., 4966 (2008).
  7. Suh MP, Park HJ, Prasad TK, Lim DW, Chem. Rev., 112(2), 782 (2012)
  8. Tang X, Ripepi N, Luxbacher K, Pitcher E, Energy Fuels, 31(10), 10787 (2017)
  9. Tian Y, Wu JZ, Langmuir, 33(4), 996 (2017)
  10. Dundar E, Zacharia R, Chahine R, Benard P, Fluid Phase Equilib., 363, 74 (2014)
  11. Purewal J, Liu D, Sudik A, Veenstra M, Yang J, Maurer S, Muller U, Siegel DJ, J. Phys. Chem. C, 116, 20199 (2012)
  12. Kloutse AF, Zacharia R, Cossement D, Chahine R, Balderas-Xicohtencatl R, Oh H, Streppel B, Schlichtenmayer M, Hirscher M, Appl. Phys. A-Mater. Sci. Process., 121, 1417 (2015)
  13. Ortmann JP, Kaisare NS, Int. J. Hydrog. Energy, 41(1), 342 (2016)
  14. Hardy B, Corgnale C, Chahine R, Richard MA, Garrison S, Tamburello D, Cossement D, Anton D, Int. J. Hydrog. Energy, 37(7), 5691 (2012)
  15. Kumar VS, Int. J. Hydrog. Energy, 36(23), 15239 (2011)
  16. Xiao JS, Peng R, Cossement D, Benard P, Chahine R, Int. J. Hydrog. Energy, 38(25), 10871 (2013)
  17. Momen G, Jafari R, Hassouni K, Int. J. Therm. Sci., 49, 1468 (2010)
  18. Nguyen-Xuan H, Chau KN, Chau KN, Comput. Methods Appl. Mech. Eng., 355, 405 (2019)
  19. Nguyen-Xuan H, Nguyen-Hoang S, Rabczuk T, Hackl K, Comput. Methods Appl. Mech. Eng., 313, 1006 (2017)
  20. Chau KN, Chau KN, Ngo T, Hackl K, Nguyen-Xuan H, Comput. Methods Appl. Mech. Eng., 332, 712 (2018)
  21. Vu-Huu T, Phung-Van P, Nguyen-Xuan H, Abdel Wahab M, Comput. Math. Appl., 76, 1198 (2018)
  22. Chahine R, Xiao J, Wang J, Cossement D, Benard P, Int. J. Hydrog. Energy, 37, 802 (2011)
  23. Ubaid S, Zacharia R, Xiao J, Chahine R, Benard P, Tessier P, Int. J. Hydrog. Energy, 40(30), 9314 (2015)
  24. Kumar VS, Kumar S, Int. J. Hydrog. Energy, 35(8), 3598 (2010)
  25. Delahaye A, Aoufi A, Gicquel A, Pentchev I, AIChE J., 48(9), 2061 (2002)
  26. Shi Z, Wang X, Proceeding COMSOL Conf., (2007).
  27. Momen G, Hermosilla G, Michau A, Pons M, Firdaous M, Marty P, Hassouni K, Int. J. Heat Mass Transf., 52(5-6), 1495 (2009)
  28. Myers AL, AIChE J., 48(1), 145 (2002)
  29. Xiao JS, Tong L, Cossement D, Benard P, Chahine R, Int. J. Hydrog. Energy, 37(17), 12893 (2012)
  30. Mota JPB, Rodrigues AE, Saatdjian E, Tondeur D, Carbon N. Y., 35, 1259 (1997)
  31. Hermosilla-Lara G, Momen G, Marty PH, Le Neindre B, Hassouni K, Int. J. Hydrog. Energy, 32(10-11), 1542 (2007)
  32. Zhou W, Wu H, Hartman MR, Yildirim T, J. Phys, Chem. C, 111, 16131 (2007)
  33. Wang YG, Ercan C, Khawajah A, Othman R, AIChE J., 58(3), 782 (2012)
  34. Polanyi M, Science, 141, 1010 (1963)
  35. Czerny AM, Benard P, Chahine R, Langmuir, 21(7), 2871 (2005)
  36. Richard MA, Benard P, Chahine R, Adsorption, 15, 43 (2009)
  37. Dubinin MM, Astakhov VA, Bull. Acad. Sci. USSR Div. Chem. Sci., 20, 3 (1971)
  38. Whittaker PB, Wang X, Zimmermann W, Regenauer-Lieb K, Chua HT, J. Phys. Chem. C, 118, 8350 (2014)
  39. Toth J, Acta Chim. Hung., 69, 311 (1971)
  40. Whittaker PB, Wang X, Regenauer-Lieb K, Chua HT, Phys. Chem. Chem. Phys., 15, 473 (2013)
  41. Lamari M, Aoufi A, Malbrunot P, AIChE J., 46(3), 632 (2000)