Hydrogen sulfide (H2S) and carbon dioxide (CO2) represent one of the major concerns for hydrocarbon industry. Both species are pollutants and, since their use as feed-stock is minor are considered troubling by-products. H2S comes in large part from the desulfurizing applied in the major part of petroleum industry and It is a remarkable potential source of H2 and a potential reducing agent for CO2. Then, the reactive chemical system constituted of H2S and CO2 amazingly looks like traditional and proven Claus systems, H2S +O2, thermal section, and H2S +SO2, catalytic section. Accordingly, it is reasonable to envisage that syngas production from H2S and CO2 can be achieved under proper conditions. The previous studies were based mainly on the development of a detailed kinetic model of thermal furnace, to improve H2S pyrolysis first, and then the interaction of this compound with O2. Due to his thermodynamics stability and with is low chemical value, CO2 has few industrial uses; one of the most important use is the industrial production of urea but, industrial applications as the dry reforming and catalytic hydrogenation were considered not reliable industrial applications. From a detailed thermodynamic-kinetics studies, oxy-reduction reaction between H2S and CO2 results feasible in the RTR. Thus, in case relevant process technology realizes to be practical as well, this reaction may represent an alternative, pioneering synthesis route for syngas. Therefore, is necessary a study on the system’s reactivity. Carried out with a block-kinetic approach to construct the detailed kinetic mechanism; restarting from pyrolysis of H2S, key block for this technology, continue through the oxidation of H2S, that provides the heat required to activate the pyrolysis, and concluding with the study of interaction of basic sulfur compound with C1 species to produce pollutant agents like COS and CS2. And finally integrated with the Detailed mechanism of the pyrolysis, partial oxidation and combustion of hydrocarbon compounds up to 3 C atoms; studied by the CRECK Modelling group with the new ARAMCO approach, that is considering a different, from the Lindemann-Troe, dependence of pressure; is remarkable to denote the importance of this section due to the reduction reactions that reduce carbon dioxide to carbon monoxide. With this new detailed kinetic mechanism, an illustrative process simulation is provided with a new approach, built in different steps. Starting from a previous study, where was developed a process simulator with Aspen HYSYS® and DSMOKE® in a MATLAB® interface that links the process simulator, with the reactor zone simulated by DSMOKE® with the new kinetic model. In a first time to reduce the computational time, PRO/II® was used instead of Aspen HYSYS®, that permits the use of BzzMath library, and so the construction of a simulation platform in C++, and consequently leaving the MATLAB® interface. After than DMOKE® was substituted with OpenSMOKE®, a new program developed by the CRECK group, basically a modern DSMOKE® with innovative and faster methods of resolution. This new process simulator will be use in the future to treat optimization problems, economical valuation and industrial monitoring problems.
processo Claus, tecnologia AG2S™, gas acidi, fornace Claus, RTR, reattore termico rigenerativo, zolfo, acido solfidrico, anidride carbonica, produzione di syngas, idrogeno, monossido di carbonio, studio termodinamico, studio cinetico, schema cinetico, reattore catalitico Claus, reazioni di idrolisi, progettazione del modello, simulazione di processo, Aspen HYSYS, MATLAB®, DSMOKE®, PRO/II®, OpenSMOKE®., schema, dettagliato, simulatore, meccanismo.
AG2S technology : development of a detailed kinetic mechanism and study of sulfur systems towards AG2S process simulation
EL ZIANI, AYOUB
2016/2017
Abstract
Hydrogen sulfide (H2S) and carbon dioxide (CO2) represent one of the major concerns for hydrocarbon industry. Both species are pollutants and, since their use as feed-stock is minor are considered troubling by-products. H2S comes in large part from the desulfurizing applied in the major part of petroleum industry and It is a remarkable potential source of H2 and a potential reducing agent for CO2. Then, the reactive chemical system constituted of H2S and CO2 amazingly looks like traditional and proven Claus systems, H2S +O2, thermal section, and H2S +SO2, catalytic section. Accordingly, it is reasonable to envisage that syngas production from H2S and CO2 can be achieved under proper conditions. The previous studies were based mainly on the development of a detailed kinetic model of thermal furnace, to improve H2S pyrolysis first, and then the interaction of this compound with O2. Due to his thermodynamics stability and with is low chemical value, CO2 has few industrial uses; one of the most important use is the industrial production of urea but, industrial applications as the dry reforming and catalytic hydrogenation were considered not reliable industrial applications. From a detailed thermodynamic-kinetics studies, oxy-reduction reaction between H2S and CO2 results feasible in the RTR. Thus, in case relevant process technology realizes to be practical as well, this reaction may represent an alternative, pioneering synthesis route for syngas. Therefore, is necessary a study on the system’s reactivity. Carried out with a block-kinetic approach to construct the detailed kinetic mechanism; restarting from pyrolysis of H2S, key block for this technology, continue through the oxidation of H2S, that provides the heat required to activate the pyrolysis, and concluding with the study of interaction of basic sulfur compound with C1 species to produce pollutant agents like COS and CS2. And finally integrated with the Detailed mechanism of the pyrolysis, partial oxidation and combustion of hydrocarbon compounds up to 3 C atoms; studied by the CRECK Modelling group with the new ARAMCO approach, that is considering a different, from the Lindemann-Troe, dependence of pressure; is remarkable to denote the importance of this section due to the reduction reactions that reduce carbon dioxide to carbon monoxide. With this new detailed kinetic mechanism, an illustrative process simulation is provided with a new approach, built in different steps. Starting from a previous study, where was developed a process simulator with Aspen HYSYS® and DSMOKE® in a MATLAB® interface that links the process simulator, with the reactor zone simulated by DSMOKE® with the new kinetic model. In a first time to reduce the computational time, PRO/II® was used instead of Aspen HYSYS®, that permits the use of BzzMath library, and so the construction of a simulation platform in C++, and consequently leaving the MATLAB® interface. After than DMOKE® was substituted with OpenSMOKE®, a new program developed by the CRECK group, basically a modern DSMOKE® with innovative and faster methods of resolution. This new process simulator will be use in the future to treat optimization problems, economical valuation and industrial monitoring problems.| File | Dimensione | Formato | |
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https://hdl.handle.net/10589/136187