Prediction the hydrogen adsorption isotherm on nickel decorated carbon nanotubes by applying artificial neural network modeling

Document Type : Research Paper

Authors

1 I.R. Iran, Ferdowsi University of Mashhad, Faculty of Engineering, Chemical Engineering Department

2 I. R. Iran, Ferdowsi University of Mashhad, Faculty of Engineering, Chemical Engineering Department

10.22104/ijhfc.2021.4774.1219

Abstract

The design and production of new materials to safely store hydrogen are challenging in hydrogen storage technology. Porous carbon materials such as carbon nanotubes (CNTs) are novel candidates for this aim. Predicting the hydrogen adsorption isotherm on these new materials can be done very effectively. Artificial neural network modeling (ANN) is a helpful tool for this aim. In this study, a feed-forward ANN with one hidden layer was constructed and tested to model the equilibrium data of hydrogen adsorption onto Ni-decorated CNTs. CNT properties like surface area, pore volume, and experimental conditions are used as inputs to predict the corresponding hydrogen uptake in equilibrium conditions. The constructed ANN was found to be precise in modeling the hydrogen adsorption isotherms for all inputs during the training process. The trained network successfully simulates the hydrogen adsorption isotherm for new inputs, which are kept unaware of the ANN during the training process. This shows the power of the created ANN model to determine adsorption isotherms for any operating conditions under the studied constraints.
 

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[1] Zuttel, A., Materials for hydrogen storage., Mater Today, 2003, 6:24–33.
[2] Tylianakis, E., Dimitrakakis, G.K., Melchor, S. et al., Designing novel nanoporous architectures of carbon nanotubes for hydrogen storage., Int J Hydrogen Energy, 2014, 39:9825–9829.
[3] Fukuzumi, S., Suenobu, T., Hydrogen storage and evolution catalysed by metal hybrid complexes, Dalton Trans., 2013, 42:18–28.
[4] Assfour, B., Leoni, S., Yurchenko, S., Seifert, G., Hydrogen storage in zeolite imidazolate frameworks. A multiscale theoretical investigation, Int. J. of Hydrogen Energy,  2011) 36:6005-6013.
[5] Wenzel, S.E., Fischer, M., Hoffmann, F., Froba, M., Highly Porous Metal-Organic Framework Containing a Novel Organosilicon Linker - A Promising Material for Hydrogen Storage, Inorg. Chem., 2009, 48:6559–6565 6559, DOI: 10.1021/ic900478z
[6] Dinca, M., Dailly, A., Liu, Y., Brown, C.M., Dan. A., Neumann, J.R., Long, Hydrogen Storage in a Microporous Metal-Organic Framework with Exposed Mn2+ Coordination Sites, J. AM. CHEM. SOC., 2006, 128:16876-16883.
[7] Tranchemontagne, D.J.,  Park, K.S., Furukawa, H., Eckert, J., Knobler, C.B., Yaghi, O.M., Hydrogen Storage in New Metal−Organic Frameworks, J. Phys. Chem., 2012, 116:13143−13151. dx.doi.org/10.1021/jp302356q |
[8] Yuan, S., Kirklin, S., Dorney, B.,  Liu, D., Yu, L., Nanoporous Polymers Containing Stereocontorted Cores for Hydrogen Storage, Received October 24, 2008; Revised Manuscript Received January 12, 2009.
[9] Dailly, A., Poirier, E., Evaluation of an industrial pilot scale densified MOF-177 adsorbent as an on-board hydrogen storage medium, Received April 6, 2011; Accepted June 14, 2011, DOI: 10.1039/c1ee01426a
[10] Kim, H., Choi, H.R., Byun, J.M., Suk, M.J., Oh, S.T., Kim, Y.D., Synthesis of CNT on a camphene impregnated titanium porous body by thermal chemical vapor deposition, J. Korean Powder Metall. Inst., 2015, 22:122–128.
[11] Han, Y., Park, S., Influence of nickel nanoparticles on hydrogen storage behaviors of MWCNTs, Applied Surface Science, http://dx.doi.org/10.1016/j.apsusc.2016.12.108
[12] Singh, P., Kulkarni, M.V., Gokhale, S.P., Chikkali, S.H., Kulkarni, C.V., Enhancing the hydrogen storage capacity of Pd-functionalized multi-walled carbon nanotubes, Appl. Surf. Sci., 2012, 258:3405–3409.
[13] Das, T., Banerjee, S., Dasgupta, K., Joshi. J.B., V. Sudarsan, Nature of the Pd–CNT interaction in Pd nanoparticles dispersed on multi-walled carbon nanotubes and its implications in hydrogen storage properties, RSC Adv., 2015, 5:41468–41474.
[14] Park, S.J., Lee, S.Y., Hydrogen storage behaviors of platinum-supported multiwalled carbon nanotubes, Int. J. Hydrogen Energy, 2010, 35:13048–13054.
[15] Mortazavi, S.Z., Parvin, P., Reyhani, A., Malekfar, R., Mirershadi, S., Hydrogen storage property of laser induced Pd-nanoparticle decorated multi-walled carbon nanotubes, RSC Adv., 2013, 3:1397–1409.
[16] Cheng, H., Chen, L., Cooper, A.C., Sha, X., Pez, G.P., Hydrogen spillover in the context of hydrogen storage using solid-state materials, Energy Environ. Sci., 2008, 1:338–354.
[17] Kumar, K.V., Monteiro de Castro, M., Martinez-Escandell, M., Molina-Sabio, M.,  Rodriguez-Reinoso, F., Neural network and principal component analysis for modeling of hydrogen adsorption isotherms on KOH activated pitch-based carbons containing different heteroatoms, Chemical Engineering Journal, 2010, 159:272–279.