Alkylation process is one of the most conventional processes for high octane gasoline production. Accurate modeling and simulation of this process is essential for increasing efficiency and optimal design of the alkylation process. In the present work, a new and reliable approach is proposed for modeling the alkylation process. Unlike previous models, the present approach emphasizes on the mass transfer phenomenon over a control volume around the hydrocarbon phase. Furthermore, the unstable intermediate products inside the hydrocarbon/acid interface are also taken into account in this novel model. Our in-house model predictions are successfully validated using several literature data. Furthermore, the sensitivity analysis of various operating variables, such as: isobutane-to-olefin ratio, reactor temperature, acid-to-hydrocarbon ratio and the n-butane feed concentration on the alkylate production rate and corresponding octane number are also investigated. It was clearly shown that isobutane-to-olefin ratio has the strongest effect on both alkylate yield and its research octane number. Increasing the isobutane-to-olefin ratio from 6.5 to 13 results in an increase in octane number from 94.96 to 96.58 and a decrease in alkylate production rate from 12815 to 7950 kg/hr. This is attributed to the reduced formation of heavy ends and fewer side reactions with increasing the aforementioned.

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