Mathematical modeling of hydrogen extraction process from the natural gas steam reforming products

Nowadays, the problems of the economy decarbonization and the transition to renewable energy sources are becoming more relevant. Hydrogen, above all, is among the decarbonated gases, the use of which is considered the most promising. It is regarded not only as an energy carrier but also as a means of storing excess energy, produced by renewable sources. The steam methane reforming, at the outlet of which a hydrogen-enriched gas stream is obtained, is deemed to be the most well-developed scheme. Adsorptive gas separation systems are widely used to extract hydrogen from the steam reforming gas. Mathematical modeling plays an important role in the design of adsorption gas separation plants. Optimization and control systems synthesis can be carried out with the help of a mathematical model for the process under review. The article proposes a mathematical model for the hydrogen extraction technological process by the pressure swing adsorption method employing a 6-beds gas separation unit. For the numerical solution of the mathematical model equations, the method of lines was applied, which converts partial differential equations to a system of ordinary differential equations. The integration of resulting equations system was undertaken with the aid of the Runge-Kutta method with automatic step selection. The results of numerical simulation calculations of the system dynamic operating modes are given. It is concluded that the proposed mathematical model for the adsorption process of gas separation is allowed for solving the problems of numerical simulation studies, optimization and control systems synthesis

1. LLopes Filipe V.S., Grande Carlos A., Rodrigues Alírio E. Activated carbon for hydrogen purification by pressure swing adsorption: Multicomponent breakthrough curves and PSA performance. Chemical Engineering Science. 2011;66:303.

2. Silva Bruna, Solomon Ioan, Ribeiro Ana M., Lee U-Hwang, Hwang Young Kyu, Chang Jong-San, Loureiro José M., Rodrigues Alírio E. H2 purification by pressure swing adsorption using CuBTC. Separation and Purification Technology. 2013;118:744.

3. Jinsheng Xiao, Ruipu Li, Pierre Benard, Richard Chahine. Heat and mass transfer model of multicomponent adsorption system for hydrogen purification. International Journal of Hydrogen Energy. 2015;30:1.

4. Xuancan Zhu, Qiang Wang, Yixiang Shi, Ningsheng Cai. Layered double oxide/activated carbon-based composite adsorbent for elevated temperature H2/CO2 separation. International Journal of Hydrogen Energy. 2015;40:9244.

5. Yanna Liu, Song Xiao, Pu Bai, Haoquan Hu, Lijun Jin. Adsorption separation performance of H2/CH4 on ETS-4 by concentration pulse chromatography. Journal of Energy Chemistry. 2014;23:213.

6. Ryan P. Lively, Naoki Bessho, Dhaval A. Bhandari, Yoshiaki Kawajiri, William J. Koros. Thermally moderated hollow fiber sorbent modules in rapidly cycled pressure swing adsorption mode for hydrogen purification. International Journal of Hydrogen Energy. 2012;37:15227.

7. Chunfeng Song, Qingling Liu, Na Ji, Yasuki Kansha, Atsushi Tsutsumi. Optimization of steam methane reforming coupled with pressure swing adsorption hydrogen production process by heat integration. Applied Energу. 2015;154:392.

8. Edy Herianto Majlana, Wan Ramli Wan Daud, Sunny E. Iyuke, Abu Bakar Mohamad, A. Amir H. Kadhum, Abdul Wahab Mohammad, Mohd. Sobri Takriff, Nurhaswani Bahaman. Hydrogen purification using compact pressure swing adsorption system for fuel cell. International Journal of Hydrogen Energy. 2009;34:2771.

9. Milad Yavary, Habib Ale Ebrahim, Cavus Falamaki. The effect of number of pressure equalization steps on the performance of pressure swing adsorption process. Chemical Engineering and Processing. 2015;87:35.

10. Mohamed S.A. Baksh, Marian Simo. Six bed pressure swing adsorption process operating in normal and turndown modes. Патент US 8,551,217 B2, 2013.

11. Ruthven D.M. Principles of Adsorption and Adsorption Processes. John Wiley and Sons. New York, 1984.

12. Keltsev N.V. Foundations of adsorption technology. М.: Khimiya. 1984. (In Russ.)

13. Sol Ahn, Young-Woo You, Dong-Geun Lee, Ki-Hyun Kim, Min Oh, Chang-Ha Lee. Layered two- and four-bed PSA processes for H2 recovery from coal gas. Chemical Engineering Science. 2012, 68:413–423. (In Russ.)

14. Sol Ahn, Young-Woo You, Dong-Geun Lee, Ki-Hyun Kim, Min Oh, Chang-Ha Lee. Layered two- and four-bed PSA processes for H2 recovery from coal gas. Chemical Engineering Science. 2012;68:413–423.

15. Suzuki M. Adsorption engineering. Kodansha, Tokyo; 1990. (In Russ.)

16. Turchak L.I., Plotnikov P.V. Foundations of numerical methods. М.: Physmatlit. 2003. (In Russ.)