Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures
Hydrogen (H2) is a clean fuel and key enabler of energy transition into green renewable sources and a method of achieving net-zero emissions by 2050. Underground H2storage (UHS) is a prominent method offering a permanent solution for a low-carbon economy to meet the global energy demand. However, UH...
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| Format: | Article |
| Language: | English |
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Elsevier
2022-11-01
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| Series: | Energy Reports |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S235248472202193X |
| _version_ | 1797901856017481728 |
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| author | Amer Alanazi Muhammad Ali Saleh Bawazeer Nurudeen Yekeen Hussein Hoteit |
| author_facet | Amer Alanazi Muhammad Ali Saleh Bawazeer Nurudeen Yekeen Hussein Hoteit |
| author_sort | Amer Alanazi |
| collection | DOAJ |
| description | Hydrogen (H2) is a clean fuel and key enabler of energy transition into green renewable sources and a method of achieving net-zero emissions by 2050. Underground H2storage (UHS) is a prominent method offering a permanent solution for a low-carbon economy to meet the global energy demand. However, UHS is a complex procedure where containment security, pore-scale scattering, and large-scale storage capacity can be influenced by H2contamination due to mixing with cushion gases and reservoir fluids. The literature lacks comprehensive investigations of existing thermodynamic models in calculating the accurate transport properties of H2-blend mixtures essential to the efficient design of various H2storage processes. This work benchmarks cubic equations of state (EoSs), namely Peng–Robinson (PR) and Soave Redlich–Kwong (SRK) and their modifications by Boston–Mathias (PR-BM) and Schwartzentruber–Renon (SR-RK), for their reliability in predicting the thermophysical properties of binary and ternary H2-blend mixtures, including CH4, C2H6, C3H8, H2S, H2O, CO2, CO, and N2, in addition to Helmholtz-energy-based EoSs (i.e., PC-SAFT and GERG2008). The benchmarked models are regressed against the experimental data for vapor–liquid equilibrium (VLE) that covers a wide range of pressures (0.01 to 101 MPa), temperatures (92 K to 367 K), and mole fractions (0.001 to 0.90) of H2. The novelty of this work is in benchmarking and optimizing the parameters of the mentioned EoSs to study VLE envelopes, densities, and other critical transport properties, such as heat capacity and the Joule–Thomson coefficient of H2mixtures in a wide range of associated conditions. The results highlight the significant effect of the temperature-dependent binary interaction parameters on the calculations of thermophysical properties. The SR-RK EoS demonstrated the highest agreement with VLE data among the cubic EoSs with a low root mean square error and absolute average deviation. The PC-SAFT VLE models demonstrated results comparable to the SR-RK. The sensitivity analysis highlighted the high influence of impurity on changing the thermophysical behavior of H2-blend streams during the H2storage process. |
| first_indexed | 2024-04-10T09:08:33Z |
| format | Article |
| id | doaj.art-33115c22762b49948c7315e9081a519f |
| institution | Directory Open Access Journal |
| issn | 2352-4847 |
| language | English |
| last_indexed | 2024-04-10T09:08:33Z |
| publishDate | 2022-11-01 |
| publisher | Elsevier |
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| series | Energy Reports |
| spelling | doaj.art-33115c22762b49948c7315e9081a519f2023-02-21T05:14:11ZengElsevierEnergy Reports2352-48472022-11-0181387613899Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixturesAmer Alanazi0Muhammad Ali1Saleh Bawazeer2Nurudeen Yekeen3Hussein Hoteit4Ali I. Al-Naimi Petroleum Engineering Research Center (ANPERC), Physical Science & Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia; Corresponding author at: Ali I. Al-Naimi Petroleum Engineering Research Center (ANPERC), Physical Science & Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia.Ali I. Al-Naimi Petroleum Engineering Research Center (ANPERC), Physical Science & Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia; School of Engineering, Edith Cowan University, Joondalup, WA 6027, Australia; Corresponding author at: Ali I. Al-Naimi Petroleum Engineering Research Center (ANPERC), Physical Science & Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi Arabia.Mechanical Engineering Department, College of Engineering and Islamic Architecture, Umm Al-Qura University, P.O. 5555, Makkah 24382, Saudi ArabiaDepartment of Petroleum Engineering, Universiti Teknologi PETRONAS, Seri Iskandar 32610, Perak, MalaysiaAli I. Al-Naimi Petroleum Engineering Research Center (ANPERC), Physical Science & Engineering Division, King Abdullah University of Science and Technology, Thuwal, Saudi ArabiaHydrogen (H2) is a clean fuel and key enabler of energy transition into green renewable sources and a method of achieving net-zero emissions by 2050. Underground H2storage (UHS) is a prominent method offering a permanent solution for a low-carbon economy to meet the global energy demand. However, UHS is a complex procedure where containment security, pore-scale scattering, and large-scale storage capacity can be influenced by H2contamination due to mixing with cushion gases and reservoir fluids. The literature lacks comprehensive investigations of existing thermodynamic models in calculating the accurate transport properties of H2-blend mixtures essential to the efficient design of various H2storage processes. This work benchmarks cubic equations of state (EoSs), namely Peng–Robinson (PR) and Soave Redlich–Kwong (SRK) and their modifications by Boston–Mathias (PR-BM) and Schwartzentruber–Renon (SR-RK), for their reliability in predicting the thermophysical properties of binary and ternary H2-blend mixtures, including CH4, C2H6, C3H8, H2S, H2O, CO2, CO, and N2, in addition to Helmholtz-energy-based EoSs (i.e., PC-SAFT and GERG2008). The benchmarked models are regressed against the experimental data for vapor–liquid equilibrium (VLE) that covers a wide range of pressures (0.01 to 101 MPa), temperatures (92 K to 367 K), and mole fractions (0.001 to 0.90) of H2. The novelty of this work is in benchmarking and optimizing the parameters of the mentioned EoSs to study VLE envelopes, densities, and other critical transport properties, such as heat capacity and the Joule–Thomson coefficient of H2mixtures in a wide range of associated conditions. The results highlight the significant effect of the temperature-dependent binary interaction parameters on the calculations of thermophysical properties. The SR-RK EoS demonstrated the highest agreement with VLE data among the cubic EoSs with a low root mean square error and absolute average deviation. The PC-SAFT VLE models demonstrated results comparable to the SR-RK. The sensitivity analysis highlighted the high influence of impurity on changing the thermophysical behavior of H2-blend streams during the H2storage process.http://www.sciencedirect.com/science/article/pii/S235248472202193XHydrogen geo-storageThermophysical behaviorPhase equilibriumEquation of state (EoS)Hydrogen mixtureHydrogen impurity |
| spellingShingle | Amer Alanazi Muhammad Ali Saleh Bawazeer Nurudeen Yekeen Hussein Hoteit Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures Energy Reports Hydrogen geo-storage Thermophysical behavior Phase equilibrium Equation of state (EoS) Hydrogen mixture Hydrogen impurity |
| title | Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures |
| title_full | Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures |
| title_fullStr | Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures |
| title_full_unstemmed | Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures |
| title_short | Evaluation of cubic, PC-SAFT, and GERG2008 equations of state for accurate calculations of thermophysical properties of hydrogen-blend mixtures |
| title_sort | evaluation of cubic pc saft and gerg2008 equations of state for accurate calculations of thermophysical properties of hydrogen blend mixtures |
| topic | Hydrogen geo-storage Thermophysical behavior Phase equilibrium Equation of state (EoS) Hydrogen mixture Hydrogen impurity |
| url | http://www.sciencedirect.com/science/article/pii/S235248472202193X |
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