Thermodynamic analysis of ethanol steam reforming using Gibbs energy minimization method: A detailed study of the conditions of carbon deposition
In this paper, a thermodynamic analysis of ethanol/water system, using the Gibbs energy minimization method, has been carried out. A mathematical relationship between Lagrange's multipliers and carbon activity in the gas phase was deduced. From this, it was possible to calculate carbon activiti...
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Published in: | International journal of hydrogen energy Vol. 34; no. 10; pp. 4321 - 4330 |
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Abstract | In this paper, a thermodynamic analysis of ethanol/water system, using the Gibbs energy minimization method, has been carried out. A mathematical relationship between Lagrange's multipliers and carbon activity in the gas phase was deduced. From this, it was possible to calculate carbon activities in both stable and metastable systems. For the system that corresponds to ethanol steam reforming at very low contact times, composed mainly of ethylene and acetaldehyde, carbon activities were always much greater than unity over the whole temperature range, changing from 1.2×107 at 400K to 1.1×104 at 1200K. Furthermore, there was practically no effect of the inlet steam/ethanol ratio on carbon activity values. These results indicate that such a system is highly favorable to carbon formation. On the other hand, by considering a more stable system, in order to represent high contact times, it was observed that carbon activities are much lower and depend greatly on the inlet steam/ethanol ratio employed. Besides, the complete conversion of ethylene and acetaldehyde into other species, such as CO, CO2, CH4 and H2, lowers the total Gibbs energy of the system. By computing carbon activities in experimental systems, it was also possible to explain deviations between thermodynamic analysis and experimental results regarding carbon deposition. |
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AbstractList | In this paper, a thermodynamic analysis of ethanol/water system, using the Gibbs energy minimization method, has been carried out. A mathematical relationship between Lagrange's multipliers and carbon activity in the gas phase was deduced. From this, it was possible to calculate carbon activities in both stable and metastable systems. For the system that corresponds to ethanol steam reforming at very low contact times, composed mainly of ethylene and acetaldehyde, carbon activities were always much greater than unity over the whole temperature range, changing from 1.2×107 at 400K to 1.1×104 at 1200K. Furthermore, there was practically no effect of the inlet steam/ethanol ratio on carbon activity values. These results indicate that such a system is highly favorable to carbon formation. On the other hand, by considering a more stable system, in order to represent high contact times, it was observed that carbon activities are much lower and depend greatly on the inlet steam/ethanol ratio employed. Besides, the complete conversion of ethylene and acetaldehyde into other species, such as CO, CO2, CH4 and H2, lowers the total Gibbs energy of the system. By computing carbon activities in experimental systems, it was also possible to explain deviations between thermodynamic analysis and experimental results regarding carbon deposition. In this paper, a thermodynamic analysis of ethanol/water system, using the Gibbs energy minimization method, has been carried out. A mathematical relationship between Lagrange's multipliers and carbon activity in the gas phase was deduced. From this, it was possible to calculate carbon activities in both stable and metastable systems. For the system that corresponds to ethanol steam reforming at very low contact times, composed mainly of ethylene and acetaldehyde, carbon activities were always much greater than unity over the whole temperature range, changing from 1.2 x 10 super(7 at 400 K to 1.1 x 10) super(4) at 1200 K. Furthermore, there was practically no effect of the inlet steam/ethanol ratio on carbon activity values. These results indicate that such a system is highly favorable to carbon formation. On the other hand, by considering a more stable system, in order to represent high contact times, it was observed that carbon activities are much lower and depend greatly on the inlet steam/ethanol ratio employed. Besides, the complete conversion of ethylene and acetaldehyde into other species, such as CO, CO sub(2, CH) sub(4) and H sub(2, lowers the total Gibbs energy of the system. By computing carbon activities in experimental systems, it was also possible to explain deviations between thermodynamic analysis and experimental results regarding carbon deposition.) |
Author | Müller, Iduvirges Lourdes Lima da Silva, Aline Malfatti, Célia de Fraga |
Author_xml | – sequence: 1 givenname: Aline surname: Lima da Silva fullname: Lima da Silva, Aline email: adasilva26@gmail.com – sequence: 2 givenname: Célia de Fraga surname: Malfatti fullname: Malfatti, Célia de Fraga – sequence: 3 givenname: Iduvirges Lourdes surname: Müller fullname: Müller, Iduvirges Lourdes |
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Keywords | Chemical equilibrium Carbon deposition Thermodynamic analysis Ethanol steam reforming Gibbs energy minimization method Gibbs free energy Ethanol Theoretical study Deposit formation Steam reforming Hydrogen production |
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SubjectTerms | Alternative fuels. Production and utilization Applied sciences Carbon Carbon deposition Chemical equilibrium Contact Energy Ethanol Ethanol steam reforming Ethyl alcohol Ethylene Exact sciences and technology Fuels Gibbs energy minimization method Hydrogen Mathematical analysis Mathematical models Thermodynamic analysis Thermodynamics |
Title | Thermodynamic analysis of ethanol steam reforming using Gibbs energy minimization method: A detailed study of the conditions of carbon deposition |
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