Computational study of propene selectivity and yield in the dehydrogenation of propane via process simulation approach
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Toyese Oyegoke
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Fadimatu N. Dabai
Abstract
Propene is a vital feedstock in the petrochemical industry with a vast range of applications. And there is a continuous rise in propene demand. To gain insight into how the on-purpose method could help meet the demand in the propene market, we investigated the impact of temperature (T) and pressure (P) on product distribution in terms of product yield and selectivity using the process simulation approach. Existing related studies were deployed to identify possible products that could be evaluated in the simulation. In the study, we used Gibbs minimization (with Gibb’s reactor) to predict the likely products obtained at different T and P. The impact of feed purity on product distribution was also evaluated. The study was aided by using the Aspen HYSYS process simulator, while Design Expert was used to search for the optimum conditions for higher conversion, yield, and selectivity. Results obtained for the modeling and simulation of the process show that operating the production process at a lower pressure would favor higher selectivity within the temperature range of 500–600 °C. In comparison, the one run at a higher pressure was predicted to be only promising, showing better selectivity within the range of 550–650 °C. The feed purity significantly impacts the propene amount, especially for one with sulfur impurity, leading to the formation of smaller olefins and sulfide compounds. Our study reveals the importance of reviewing feed purity before charging them into the dehydrogenation reactor to prevent poisoning, coking, and other activities, which do lead to undesired products like methane and ethylene. A catalyst can also be designed to efficiently dehydrogenate the propane to propene at a lower temperature to prevent side reactions.
Funding source: Petroleum Development Technology Fund Abuja Nigeria
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Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
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Research funding: None declared.
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Conflict of interest statement: The authors declare no conflicts of interest regarding this article.
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- Inorganic nanoparticles promoted synthesis of heterocycles
- The role of analytical chemistry in poultry science
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- Removal of heavy metals from wastewater using synthetic chelating agents
- Azadirachtin in the aquatic environment: Fate and effects on non-target fauna
- Intensification of bioprocesses with filamentous microorganisms
- The science of genetically modified poultry
- Emerging in ovo technologies in poultry production and the re-discovered chicken model in preclinical research
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Articles in the same Issue
- Frontmatter
- Reviews
- Topology and applications of 2D Dirac and semi-Dirac materials
- Landscape ecological modeling to identify ecologically significant regions in Tumkur district, Karnataka
- Surfactants-surface active agents behind sustainable living
- Ecological footprint of poultry production and effect of environment on poultry genes
- Fluoride in water, health implications and plant-based remediation strategies
- Poultry nutrition
- Synthesis of N-containing heterocycles in water
- Inorganic nanoparticles promoted synthesis of heterocycles
- The role of analytical chemistry in poultry science
- Antibiotics in avian care and husbandry-status and alternative antimicrobials
- Removal of heavy metals from wastewater using synthetic chelating agents
- Azadirachtin in the aquatic environment: Fate and effects on non-target fauna
- Intensification of bioprocesses with filamentous microorganisms
- The science of genetically modified poultry
- Emerging in ovo technologies in poultry production and the re-discovered chicken model in preclinical research
- The Cambridge structural database (CSD): important resources for teaching concepts in structural chemistry and intermolecular interactions
- Microbial production of lactic acid using organic wastes as low-cost substrates
- Oxalic acid: recent developments for cost-effective microbial production
- Immobilization of α-amylase from Aspergillus fumigatus using adsorption method onto zeolite
- A comparative assessment of potentially harmful metals in the Lagos Lagoon and Ogun river catchment
- Formulation of a herbal topical cream against Tinea capitis using flavonoids glycosides from Dicerocaryum senecioides and Diospyros mespiliformis
- Biodegradable polymers – research and applications
- Adsorption of trichloroacetic acid from drinking water using polyethylene terephthalate waste carbon and periwinkle shells–based chitosan
- The vital use of isocyanide-based multicomponent reactions (MCR) in chemical synthesis
- Pine bark crosslinked to cyclodextrin for the adsorption of 2-nitrophenol from an aqueous solution
- Computational study of propene selectivity and yield in the dehydrogenation of propane via process simulation approach
- A mini review on the prospects of Fagara zanthoxyloides extract based composites: a remedy for COVID-19 and associated replica?
- Physicochemical assessment and insilico studies on the interaction of 5-HT2c receptor with herbal medication bioactive compounds used in the treatment of premature ejaculation
- Horse chestnut thermoplastic starch nanocomposite films reinforced with nanocellulose
- Rice thermoplastic starch nanocomposite films reinforced with nanocellulose
