Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process
Urea, an essential organic fertilizer, enhances soil fertility by providing 0.466 nitrogen for maximum crop yield. In this study, urea is synthesized from NH3 and CO2 in an equilibrium reaction process adhering to Le Chatelier's principle, maintained under process conditions: flow rate of 63.5 ...
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Elsevier
2024-12-01
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| author | O.E. Ojong J.G. Akpa K.K. Dagde D. Amadi |
| author_facet | O.E. Ojong J.G. Akpa K.K. Dagde D. Amadi |
| author_sort | O.E. Ojong |
| collection | DOAJ |
| description | Urea, an essential organic fertilizer, enhances soil fertility by providing 0.466 nitrogen for maximum crop yield. In this study, urea is synthesized from NH3 and CO2 in an equilibrium reaction process adhering to Le Chatelier's principle, maintained under process conditions: flow rate of 63.5 kg/s, temperature of 184 °C, and pressure of 160 kg/cm2. A new rate expression model, formulated in terms of extent of reaction and mole fraction, was developed based on mass action relations and thermodynamic models. Two industrial reactors were considered: a plug flow reactor (PFR) at Notore and a continuous stirred tank reactor (CSTR) at Indorama plants. Transient reactor models, based on material and energy balance conservation principles, were numerically resolved using MATLAB version 2020 with specified input conditions. A non-linear regression statistical optimization model was employed to refine kinetic parameter values, ensuring optimal and high-quality urea yield. Model validations were conducted using literature data, revealing higher urea yields of 0.726 and 0.7032 for the CSTR and PFR, respectively. Deviations (0.134, 0.10 to 1.135 and 0.635, 0.326 to 0.850) and root mean square errors (RMSE) (0.043, 0.033 to 0.193 and 0.137, 0.087 to 0.162) were observed when validated against plant and literature values for the CSTR and PFR respectively. The refined kinetic parameters (activation energies, Arrhenius constants, and rate constants) exhibited negligible deviations (0.0004–0.0466 and 0.0004 to 0.0491) and RMSE (0.0228, 0.0055, and 0.0256 and 0.0241, 0.0096, and 0.0269) when validated against plant data, significantly enhancing urea yield in CSTR and PFR reactors respectively. |
| format | Article |
| id | doaj-art-a7d04adce1da4b25b30e1d8c5ec16b08 |
| institution | Kabale University |
| issn | 2590-1230 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Results in Engineering |
| spelling | doaj-art-a7d04adce1da4b25b30e1d8c5ec16b082024-12-19T10:57:14ZengElsevierResults in Engineering2590-12302024-12-0124102885Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production processO.E. Ojong0J.G. Akpa1K.K. Dagde2D. Amadi3Department of Chemical Engineering, Faculty of Engineering and Technology, University of Calabar, Calabar, Cross River State, Nigeria; Corresponding author.Department of Chemical/Petrochemical Engineering, Faculty of Engineering, Rivers State University, Nkpolu Oroworukwo Port Harcourt, Rivers State, NigeriaDepartment of Chemical/Petrochemical Engineering, Faculty of Engineering, Rivers State University, Nkpolu Oroworukwo Port Harcourt, Rivers State, NigeriaSchool of Engineering, Robert Gordon University, Garth Dee Rd, Garth Dee, Aberdeen, AB10 7G, United KingdomUrea, an essential organic fertilizer, enhances soil fertility by providing 0.466 nitrogen for maximum crop yield. In this study, urea is synthesized from NH3 and CO2 in an equilibrium reaction process adhering to Le Chatelier's principle, maintained under process conditions: flow rate of 63.5 kg/s, temperature of 184 °C, and pressure of 160 kg/cm2. A new rate expression model, formulated in terms of extent of reaction and mole fraction, was developed based on mass action relations and thermodynamic models. Two industrial reactors were considered: a plug flow reactor (PFR) at Notore and a continuous stirred tank reactor (CSTR) at Indorama plants. Transient reactor models, based on material and energy balance conservation principles, were numerically resolved using MATLAB version 2020 with specified input conditions. A non-linear regression statistical optimization model was employed to refine kinetic parameter values, ensuring optimal and high-quality urea yield. Model validations were conducted using literature data, revealing higher urea yields of 0.726 and 0.7032 for the CSTR and PFR, respectively. Deviations (0.134, 0.10 to 1.135 and 0.635, 0.326 to 0.850) and root mean square errors (RMSE) (0.043, 0.033 to 0.193 and 0.137, 0.087 to 0.162) were observed when validated against plant and literature values for the CSTR and PFR respectively. The refined kinetic parameters (activation energies, Arrhenius constants, and rate constants) exhibited negligible deviations (0.0004–0.0466 and 0.0004 to 0.0491) and RMSE (0.0228, 0.0055, and 0.0256 and 0.0241, 0.0096, and 0.0269) when validated against plant data, significantly enhancing urea yield in CSTR and PFR reactors respectively.http://www.sciencedirect.com/science/article/pii/S259012302401140XRate expressionThermodynamics modelsKinetic parametersUrea synthesisAnd validation |
| spellingShingle | O.E. Ojong J.G. Akpa K.K. Dagde D. Amadi Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process Results in Engineering Rate expression Thermodynamics models Kinetic parameters Urea synthesis And validation |
| title | Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| title_full | Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| title_fullStr | Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| title_full_unstemmed | Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| title_short | Rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| title_sort | rate expression model from thermodynamics application and optimal kinetic parameters determination for urea synthesis and production process |
| topic | Rate expression Thermodynamics models Kinetic parameters Urea synthesis And validation |
| url | http://www.sciencedirect.com/science/article/pii/S259012302401140X |
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