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完整後設資料紀錄
DC 欄位 | 值 | 語言 |
---|---|---|
dc.contributor.advisor | 陳立仁 | |
dc.contributor.author | Yen-Ting Yeh | en |
dc.contributor.author | 葉彥廷 | zh_TW |
dc.date.accessioned | 2021-06-13T02:01:19Z | - |
dc.date.available | 2014-08-16 | |
dc.date.copyright | 2011-08-16 | |
dc.date.issued | 2011 | |
dc.date.submitted | 2011-08-02 | |
dc.identifier.citation | Abrams, D. S. and Prausnitz, J. M., 'Statistical thermodynamics of liquid-mixtures - new expression for excess gibbs energy of partly or completely miscible systems', Aiche Journal 21, 116 (1975).
Afzal, W., Mohammadi, A. H. and Richon, D., 'Experimental measurements and predictions of dissociation conditions for methane, ethane, propane, and carbon dioxide simple hydrates in the presence of diethylene glycol aqueous solutions', Journal of Chemical and Engineering Data 53, 663 (2008). Anderson, F. E. and Prausnitz, J. M., 'Inhibition of gas hydrates by methanol', AICHE Journal 32, 1321 (1986). Ballard, A. L. and Sloan, E. D., 'The next generation of hydrate prediction I. Hydrate standard states and incorporation of spectroscopy', Fluid Phase Equilibria 194, 371 (2002). Ballard, A. L. and Sloan, E. D., 'Optimizing thermodynamic parameters to match methane and ethane structural transition in natural gas hydrate equilibria', Gas hydrates: Challenges for the future, Holder, G.D. and Bishnoi, P.R., eds., New York Acad Sciences, New York, pp. 702-712 (2000a). Ballard, A. L. and Sloan, E. D., 'Structural transitions in methane plus ethane gas hydrates - part ii: Modeling beyond incipient conditions', Chemical Engineering Science 55, 5773 (2000b). Bandyopadhyay, A. A. and Klauda, J. B., 'Gas hydrate structure and pressure predictions based on an updated fugacity-based model with the psrk equation of state', Industrial & Engineering Chemistry Research 50, 148 (2011). Breland, E. and Englezos, P., 'Equilibrium hydrate formation data for carbon dioxide in aqueous glycerol solutions', Journal of Chemical and Engineering Data 41, 11 (1996). Bruusgaard, H., Beltrán, J. G. and Servio, P., 'Solubility measurements for the CH4 + CO2 + H2O system under hydrate-liquid-vapor equilibrium', Fluid Phase Equilibria 296, 106 (2010). Cao, Z. T., Tester, J. W., Sparks, K. A. and Trout, B. L., 'Molecular computations using robust hydrocarbon-water potentials for predicting gas hydrate phase equilibria', Journal of Physical Chemistry B 105, 10950 (2001). Chen, G. J. and Guo, T. M., 'A new approach to gas hydrate modelling', Chem. Eng. J. 71, 145 (1998). Chen, G. J. and Guo, T. M., 'Thermodynamic modeling of hydrate formation based on new concepts', Fluid Phase Equilibria 122, 43 (1996). Davidson, D. W., 'The motion of guest molecules in clathrate hydrates', Canadian Journal of Chemistry 49, 1224 (1971). Englezos, P., 'Clathrate hydrates', Industrial & Engineering Chemistry Research 32, 1251 (1993). Hammerschmidt, E. G., 'Formation of gas hydrates in natural gas transmission lines', Industrial and Engineering Chemistry 26, 851 (1934). Henning, R. W., Schultz, A. J., Thieu, V. and Halpern, Y., 'Neutron diffraction studies of CO2 clathrate hydrate: Formation from deuterated ice', J. Phys. Chem. A 104, 5066 (2000). Holder, G. D., Zetts, S. P. and Pradhan, N., 'Phase-behavior in systems containing clathrate hydrates - a review', Rev. Chem. Eng. 5, 1 (1988). Hsieh, C. M., Sandler, S. I. and Lin, S. T., 'Improvements of cosmo-sac for vapor-liquid and liquid-liquid equilibrium predictions', Fluid Phase Equilibria 297, 90 (2010). Jager, M. D., Ballard, A. L. and Sloan, E. D., 'The next generation of hydrate prediction - II. Dedicated aqueous phase fugacity model for hydrate prediction', Fluid Phase Equilibria 211, 85 (2003). Jager, M. D., Ballard, A. L. and Sloan, J. E. D., 'Comparison between experimental data and aqueous-phase fugacity model for hydrate prediction', Fluid Phase Equilibria 232, 25 (2005). Klauda, J. B. and Sandler, S. I., 'Ab initio intermolecular potentials for gas hydrates and their predictions', Journal of Physical Chemistry B 106, 5722 (2002). Klauda, J. B. and Sandler, S. I., 'A fugacity model for gas hydrate phase equilibria', Industrial & Engineering Chemistry Research 39, 3377 (2000). Klauda, J. B. and Sandler, S. I., 'Phase behavior of clathrate hydrates: A model for single and multiple gas component hydrates', Chemical Engineering Science 58, 27 (2003). Koh, C. A. and Sloan, E. D., 'Natural gas hydrates: Recent advances and challenges in energy and environmental applications', AICHE Journal 53, 1636 (2007). Li, X. S., Wu, H. J. and Englezos, P., 'Prediction of gas hydrate formation conditions in the presence of methanol, glycerol, ethylene glycol, and triethylene glycol with the statistical associating fluid theory equation of state', Industrial & Engineering Chemistry Research 45, 2131 (2006). Li, X. S., Wu, H. J., Li, Y. G., Feng, Z. P., Tang, L. G. and Fan, S. S., 'Hydrate dissociation conditions for gas mixtures containing carbon dioxide, hydrogen, hydrogen sulfide, nitrogen, and hydrocarbons using saft', Journal of Chemical Thermodynamics 39, 417 (2007). Lin, S. T. and Sandler, S. I., 'A priori phase equilibrium prediction from a segment contribution solvation model', Industrial & Engineering Chemistry Research 41, 899 (2002). Lin, S. T. and Sandler, S. I., 'A priori phase equilibrium prediction from a segment contribution solvation model (vol 41, pg 903, 2004)', Industrial & Engineering Chemistry Research 43, 1322 (2004). Ma, Q. L., Chen, G. J. and Guo, T. M., 'Modelling the gas hydrate formation of inhibitor containing systems', Fluid Phase Equilibria 205, 291 (2003). Maekawa, T., 'Equilibrium conditions for carbon dioxide hydrates in the presence of aqueous solutions of alcohols, glycols, and glycerol', Journal of Chemical and Engineering Data 55, 1280 (2010). Mahmoodaghdam, E. and Bishnoi, P. R., 'Equilibrium data for methane, ethane, and propane incipient hydrate formation in aqueous solutions of ethylene glycol and diethylene glycol', Journal of Chemical and Engineering Data 47, 278 (2002). Majumdar, A., Mahmoodaghdam, E. and Bishnoi, P. R., 'Equilibrium hydrate formation conditions for hydrogen sulfide, carbon dioxide, and ethane in aqueous solutions of ethylene glycol and sodium chloride', Journal of Chemical and Engineering Data 45, 20 (2000). McKoy, V. and Sinanoglu, O., 'Theory of dissociation pressures of some gas hydrates', J. Chem. Phys. 38, 2946 (1963). Michelsen, M. L., 'A modified huron-vidal mixing rule for cubic equations of state', Fluid Phase Equilibria 60, 213 (1990). Mohammadi, A. H., Aftal, W. and Richon, D., 'Experimental data and predictions of dissociation conditions for ethane and propane simple hydrates in the presence of distilled water and methane, ethane, propane, and carbon dioxide simple hydrates in the presence of ethanol aqueous solutions', Journal of Chemical and Engineering Data 53, 73 (2008a). Mohammadi, A. H., Afzal, W. and Richon, D., 'Experimental data and predictions of dissociation conditions for ethane and propane simple hydrates in the presence of methanol, ethylene glycol, and triethylene glycol aqueous solutions', Journal of Chemical and Engineering Data 53, 683 (2008b). Mohammadi, A. H., Kraouti, I. and Richon, D., 'Experimental data and predictions of dissociation conditions for methane, ethane, propane, and carbon dioxide simple hydrates in the presence of glycerol aqueous solutions', Industrial & Engineering Chemistry Research 47, 8492 (2008c). Munck, J., Skjoldjorgensen, S. and Rasmussen, P., 'Computations of the formation of gas hydrates', Chemical Engineering Science 43, 2661 (1988). Nagata, I. and Kobayash.R, 'Calculation of dissociation pressures of gas hydrates using kihara model', Industrial & Engineering Chemistry Fundamentals 5, 344 (1966). Ng, H. J. and Robinson, D. B., 'New developments in the measurement and prediction of hydrate formation for processing needs', Sloan, E.D., Happel, J. and Hnatow, M.A., eds., New York Acad Sciences, pp. 450-462 (1994). Parrish, W. R. and Prausnitz, J., 'Dissociation pressures of gas hydrates formed by gas-mixtures', Industrial & Engineering Chemistry Process Design and Development 11, 26 (1972). Robinson, D. B. and Ng, H. J., 'Hydrate formation and inhibition in gas or gas condensate streams', J. Can. Pet. Technol. 25, 26 (1986). Sloan, E. D., Clathrate hydrates of natural gases, Marcel Dekker, New York (1998). Sloan, E. D., 'Fundamental principles and applications of natural gas hydrates', Nature 426, 353 (2003). Sloan, E. D. and Koh, C. A., Clathrate hydrates of natural gases, CRC Press, New York (2008). Stryjek, R. and Vera, J. H., 'PRSV - an improved peng-robinson equation of state for pure compounds and mixtures', Canadian Journal of Chemical Engineering 64, 323 (1986a). Stryjek, R. and Vera, J. H., ' PRSV - an improved peng-robinson equation of state with new mixing rules for strongly nonideal mixtures', Canadian Journal of Chemical Engineering 64, 334 (1986b). Sum, A. K., Burruss, R. C. and Sloan, E. D., 'Measurement of clathrate hydrates via raman spectroscopy', Journal of Physical Chemistry B 101, 7371 (1997). Sun, R. and Duan, Z. H., 'Prediction of ch4 and co2 hydrate phase equilibrium and cage occupancy from ab initio intermolecular potentials', Geochim. Cosmochim. Acta 69, 4411 (2005). Tee, L. S., Gotoh, S. and Stewart, W. E., 'Molecular parameters for normal fluids - kihara potential with spherical core', Industrial & Engineering Chemistry Fundamentals 5, 363 (1966). Uchida, T., Ikeda, I. Y., Takeya, S., Kamata, Y., Ohmura, R., Nagao, J., Zatsepina, O. Y. and Buffett, B. A., 'Kinetics and stability of CH4-CO2 mixed gas hydrates during formation and long-term storage', ChemPhysChem 6, 646 (2005). van der Waals, J. H. and Platteeuw, J. C., 'Clathrate solutions', Advances in Chemical Physics 2, 1 (1959). Wang, S., Sandler, S. I. and Chen, C. C., 'Refinement of cosmo-sac and the applications', Industrial & Engineering Chemistry Research 46, 7275 (2007). Yoon, J. H., Chun, M. K. and Lee, H., 'Generalized model for predicting phase behavior of clathrate hydrate', AIChE Journal 48, 1317 (2002). Zhang, Y. F., Debenedetti, P. G., Prud'homme, R. K. and Pethica, B. A., 'Accurate prediction of clathrate hydrate phase equilibria below 300 k from a simple model', Journal of Petroleum Science and Engineering 51, 45 (2006). | |
dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/30330 | - |
dc.description.abstract | 本研究建立一理論計算模型包含 van der Waals and Platteuw model (vdWP) 和 Peng-Robinson-Stryjek-Vera Equation of State (PRSV EoS),並將之應用於計算單一氣體水合物(甲烷、乙烷、丙烷、二氧化碳及氮氣)之相平衡行為,並可進一步預測單一氣體水合物添加抑制劑(甲醇、乙醇、乙二醇、二甘醇及丙三醇)及混合氣體水合物系統之相平衡行為。在此模型中,PRSV EoS搭配van der Waals (vdW)及modified Huron-Vidal (MHV1) 混合規則來求得狀態方程式中之特性參數。MHV1 混合規則中之活性係數(activity coefficient)則藉由UNIQUAC和COSMO-SAC 液態模型來求得。 COSMO-SAC 模型不包含兩物質之間之交互作用力迴歸參數,為一具有預測性之液態模型。而在本研究中利用COSMO-SAC 模型所求得之相平衡條件結果,與具有交互作用力迴歸參數之 vdW 混合規則及UNIQUAC模型所得之結果比較,並不會有太大之偏差。在乙烷及丙烷氣體水合物系統中,利用MHV1+COSMO-SAC所求得之壓力平均誤差為1.93 % 和 2.61 %,利用vdW所求之壓力平均誤差為1.96 % 和 2.63 %,利用MHV1+UNIQUAC得之平均誤差為1.94 % 和2.62 %。此理論模型中所需之參數可經由計算單一氣體水合物之相平衡條件而得,並可進一步應用於添加抑制劑以及混合氣體水合物之系統,預測其相平衡條件與相平衡狀態下系統組成。 | zh_TW |
dc.description.abstract | In this study, the simple hydrate thermodynamic model including van der Waals and Platteuw model (vdWP) model and Peng-Robinson-Stryjek-Vera Equation of State (PRSV EoS) is developed to calculate the phase equilibrium of pure gas hydrates (CH4, C2H6, C3H8, CO2, N2). Moreover, it can be extended to predict the phase behaviors of gas hydrate systems in the presence of inhibitors e.g. methanol, ethanol, ethylene glycol, diethylene glycol and glycerol, and mixed hydrates systems. The PRSV EoS is incorporated with the van der Waals (vdW) mixing rules and the modified Huron-Vidal (MHV1) mixing rules, and the UNIQUAC and the COSMO-SAC models are used to determine the activity coefficient in the MHV1 mixing rules. The COSMO-SAC model is the completely predictive model without any fitting binary interaction parameters, and the results obtained by using the COSMO-SAC model are comparable to those derived from vdW mixing rules and the UNIQUAC model containing fitting parameters in this work. For the C2H6 + H2O and C3H8 + H2O hydrate systems, the AADP (%) are 1.93 % and 2.61 % (MHV1+COSMO-SAC), 1.96 % and 2.63 % (vdW), and 1.94% and 2.62 % (MHV1+UNIQUAC). The model parameters are fitted to experimental data for pure gas hydrates, and the phase equilibria for the hydrate systems with inhibitors and mixed hydrate systems can be predicted successfully without any additional parameters. | en |
dc.description.provenance | Made available in DSpace on 2021-06-13T02:01:19Z (GMT). No. of bitstreams: 1 ntu-100-R98524024-1.pdf: 2686704 bytes, checksum: ac15dd8539b573a0f6df28fa18001949 (MD5) Previous issue date: 2011 | en |
dc.description.tableofcontents | 誌謝 i
摘要 ii Abstract iii Contents iv Figures vi Tables x Chapter 1. Introduction 1 Chapter 2. Paper Review 4 2.1The gas hydrates 4 2.2 Thermodynamic model application in gas hydrates systems 6 2.3 van der Waals and Platteuw model 10 Chapter 3. Thermodynamic Model 15 3.1 Phase equilibrium criteria 15 3.2 Peng-Robinson-Stryjek-Vera equation of state 15 3.3 Liquid model 19 3.3.1 The UNIQUAC model 19 3.3.2 The COSMO-SAC model 20 3.4 Van der Waal and Platteuw model 21 3.5 Computational method 24 3.6 Flowchart of calculation procedure 25 3.6.1 Flash calculation for vapor liquid equilibrium 25 3.6.2 Hydrate-liquid water-vapor equilibrium 26 Chapter 4. Results and Discussion 29 4.1 Flash calculation for binary vapor liquid equilibrium 29 4.2 Single gas hydrates 30 4.2.1 The Langmuir constant parameters 30 4.2.2 The CH4 hydrate 31 4.2.3 The C2H6, C3H8 and N2 hydrates 34 4.2.4 The CO2 hydrate 36 4.3 Single gas hydrate with inhibitors systems 37 4.3.1 The CH4 hydrate with inhibitors systems 38 4.3.2 The C2H6 hydrate with inhibitors systems 41 4.3.3 The C3H8 hydrate with inhibitors systems 42 4.3.4 The CO2 hydrate with inhibitors systems 43 4.4 The mixed hydrate systems 46 4.4.1 The CH4 + CO2 mixed hydrates 46 4.4.2 The CH4 + C2H6 mixed hydrates 50 4.4.3 The C2H6 + CO2 mixed hydrates 51 Chapter 5. Conclusion 97 Chapter 6. References 100 | |
dc.language.iso | zh-TW | |
dc.title | 利用熱力學模型研究水合物之相平衡行為 | zh_TW |
dc.title | Modeling the Phase Equilibrium Behavior of Gas Hydrates by the Thermodynamic Model | en |
dc.type | Thesis | |
dc.date.schoolyear | 99-2 | |
dc.description.degree | 碩士 | |
dc.contributor.oralexamcommittee | 陳延平,林祥泰 | |
dc.subject.keyword | 氣體水合物,PRSV EoS,vdWP model,COSMO-SAC model,抑制劑, | zh_TW |
dc.subject.keyword | gas hydrates,PRSV EoS,vdWP model,COSMO-SAC model,inhibitors, | en |
dc.relation.page | 104 | |
dc.rights.note | 有償授權 | |
dc.date.accepted | 2011-08-02 | |
dc.contributor.author-college | 工學院 | zh_TW |
dc.contributor.author-dept | 化學工程學研究所 | zh_TW |
顯示於系所單位: | 化學工程學系 |
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