This is a PDF file of an article that has undergone enhancements after acceptance, such as the ad... more This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4... more The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4 + H 2 S mixture oxidation systems. The H 2 S decomposition rate expression constants were adjusted which the mean absolute percentage error (MAPE) of this model was 5.91%. Then three reaction schemes for pure H 2 S oxidation and two reaction schemes for CH 4 + H 2 S co-oxidation system were selected and their kinetic constant were adjusted. The selected reaction schemes with optimized kinetic parameters were used to model H 2 S and CH 4 partial oxidation which the corresponding MAPEs varied between 7.90-10.32%. Finally, a reaction schemes was chosen for complete description of the pure H 2 S oxidation and H 2 S + CH 4 co-oxidation systems. The proposed kinetic reaction scheme was applied in the kinetic modeling of an industrial Claus reaction furnace (MAPEs 5.59 and 15.02 % for temperature and compositions) and provided a satisfactory representation of the experimental data. Performances of the proposed reaction scheme were validated with comparison to the detailed reaction mechanism.
In this study, one of the recently published the kinetic models for the Claus reaction furnace wa... more In this study, one of the recently published the kinetic models for the Claus reaction furnace was modified through utilizing a wide experimental data from the Claus reaction furnace of oil refineries and applying a novel two-step optimization approach. The Claus reaction furnace of oil refineries was modeled using the detailed kinetic model. The Mean Absolute Percentage Errors (MAPE) of the modified kinetic model for H 2 S, SO 2 , H 2 O and H 2 are 3.04%, 2.28%, 4.66% and 5.90%, respectively. The mean absolute percentage errors of the validated tests for H 2 S, SO 2 , H 2 O and H 2 are 6.72%, 5.74%, 4.74% and 7.98%, respectively. A multi-objective optimization study was carried out to examine the operating condition of the Claus reaction furnace in order to maximize reaction furnace temperature while maintaining H 2 S to SO 2 flow ratio to a constant value of two. Three correlations were obtained with MAPEs 1.83%, 4.66% and 16.52% for reaction furnace temperature, sulfur conversion efficiency percentage and COS conversion percentage, respectively.
A rigorous thermodynamics model of CO 2 absorption by monoethanolamine (MEA) is essential to mode... more A rigorous thermodynamics model of CO 2 absorption by monoethanolamine (MEA) is essential to model treatment of acid gases by aqueous MEA. In this study, the statistical associating fluid theory (SAFT) is applied for modeling the CO 2 absorption by MEA. The pure component properties of MEA, vapor-liquid equilibrium properties of binary MEA-H 2 O and ternary MEA-CO 2-H 2 O are evaluated by considering the SAFT expression of Huang and Radosz (SAFT-HR). Consequently, pure component and binary interaction parameters of the SAFT-HR equation of state (EOS) for MEA are calculated utilizing the experimental data. The association scheme 2B is chosen with examining different association schemes 2B, 3B and 4C, and considering the capability of the model in prediction of pure component properties. It is also assumed that activities of species in chemical equilibrium equal to their mole fractions. The model predictions show a good agreement with the experimental data. Meanwhile, absolute average deviation percentage of ternary MEA-CO 2-H 2 O system by the SAFT-HR EOS is 34.71% which it is less than 36.42% and 42.29% for the PC-SAFT EOS and e-NRTL model, respectively.
The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4... more The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4 + H 2 S mixture oxidation systems. The H 2 S decomposition rate expression constants were adjusted which the mean absolute percentage error (MAPE) of this model was 5.91%. Then three reaction schemes for pure H 2 S oxidation and two reaction schemes for CH 4 + H 2 S co-oxidation system were selected and their kinetic constant were adjusted. The selected reaction schemes with optimized kinetic parameters were used to model H 2 S and CH 4 partial oxidation which the corresponding MAPEs varied between 7.90-10.32%. Finally, a reaction schemes was chosen for complete description of the pure H 2 S oxidation and H 2 S + CH 4 co-oxidation systems. The proposed kinetic reaction scheme was applied in the kinetic modeling of an industrial Claus reaction furnace (MAPEs 5.59 and 15.02 % for temperature and compositions) and provided a satisfactory representation of the experimental data. Performances of the proposed reaction scheme were validated with comparison to the detailed reaction mechanism.
This is a PDF file of an article that has undergone enhancements after acceptance, such as the ad... more This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4... more The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4 + H 2 S mixture oxidation systems. The H 2 S decomposition rate expression constants were adjusted which the mean absolute percentage error (MAPE) of this model was 5.91%. Then three reaction schemes for pure H 2 S oxidation and two reaction schemes for CH 4 + H 2 S co-oxidation system were selected and their kinetic constant were adjusted. The selected reaction schemes with optimized kinetic parameters were used to model H 2 S and CH 4 partial oxidation which the corresponding MAPEs varied between 7.90-10.32%. Finally, a reaction schemes was chosen for complete description of the pure H 2 S oxidation and H 2 S + CH 4 co-oxidation systems. The proposed kinetic reaction scheme was applied in the kinetic modeling of an industrial Claus reaction furnace (MAPEs 5.59 and 15.02 % for temperature and compositions) and provided a satisfactory representation of the experimental data. Performances of the proposed reaction scheme were validated with comparison to the detailed reaction mechanism.
In this study, one of the recently published the kinetic models for the Claus reaction furnace wa... more In this study, one of the recently published the kinetic models for the Claus reaction furnace was modified through utilizing a wide experimental data from the Claus reaction furnace of oil refineries and applying a novel two-step optimization approach. The Claus reaction furnace of oil refineries was modeled using the detailed kinetic model. The Mean Absolute Percentage Errors (MAPE) of the modified kinetic model for H 2 S, SO 2 , H 2 O and H 2 are 3.04%, 2.28%, 4.66% and 5.90%, respectively. The mean absolute percentage errors of the validated tests for H 2 S, SO 2 , H 2 O and H 2 are 6.72%, 5.74%, 4.74% and 7.98%, respectively. A multi-objective optimization study was carried out to examine the operating condition of the Claus reaction furnace in order to maximize reaction furnace temperature while maintaining H 2 S to SO 2 flow ratio to a constant value of two. Three correlations were obtained with MAPEs 1.83%, 4.66% and 16.52% for reaction furnace temperature, sulfur conversion efficiency percentage and COS conversion percentage, respectively.
A rigorous thermodynamics model of CO 2 absorption by monoethanolamine (MEA) is essential to mode... more A rigorous thermodynamics model of CO 2 absorption by monoethanolamine (MEA) is essential to model treatment of acid gases by aqueous MEA. In this study, the statistical associating fluid theory (SAFT) is applied for modeling the CO 2 absorption by MEA. The pure component properties of MEA, vapor-liquid equilibrium properties of binary MEA-H 2 O and ternary MEA-CO 2-H 2 O are evaluated by considering the SAFT expression of Huang and Radosz (SAFT-HR). Consequently, pure component and binary interaction parameters of the SAFT-HR equation of state (EOS) for MEA are calculated utilizing the experimental data. The association scheme 2B is chosen with examining different association schemes 2B, 3B and 4C, and considering the capability of the model in prediction of pure component properties. It is also assumed that activities of species in chemical equilibrium equal to their mole fractions. The model predictions show a good agreement with the experimental data. Meanwhile, absolute average deviation percentage of ternary MEA-CO 2-H 2 O system by the SAFT-HR EOS is 34.71% which it is less than 36.42% and 42.29% for the PC-SAFT EOS and e-NRTL model, respectively.
The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4... more The aim of this work was to find an appropriate reaction scheme to model both pure H 2 S and CH 4 + H 2 S mixture oxidation systems. The H 2 S decomposition rate expression constants were adjusted which the mean absolute percentage error (MAPE) of this model was 5.91%. Then three reaction schemes for pure H 2 S oxidation and two reaction schemes for CH 4 + H 2 S co-oxidation system were selected and their kinetic constant were adjusted. The selected reaction schemes with optimized kinetic parameters were used to model H 2 S and CH 4 partial oxidation which the corresponding MAPEs varied between 7.90-10.32%. Finally, a reaction schemes was chosen for complete description of the pure H 2 S oxidation and H 2 S + CH 4 co-oxidation systems. The proposed kinetic reaction scheme was applied in the kinetic modeling of an industrial Claus reaction furnace (MAPEs 5.59 and 15.02 % for temperature and compositions) and provided a satisfactory representation of the experimental data. Performances of the proposed reaction scheme were validated with comparison to the detailed reaction mechanism.
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