A new perspective on vegetable oil epoxidation modeling: Reaction and mass transfer in a liquid–liquid–solid system

Abstract

A rigorous mathematical model was developed for a complex liquid-liquid-solid system in a batch reactor. The approach is general but well applicable for the indirect epoxidation of vegetable oils according to the concept of Nikolaj Prileschajew, implying in situ prepared percarboxylic acids as epoxidation agents. The model considers intra-and interfacial mass transfer effects coupled to reaction kinetics. The liquid phases were described with chemical approach (aqueous phase) and a reaction-diffusion approach (oil phase). The oil droplets were treated as rigid spheres, in which the overall reaction rate is influenced by chemical reactions and molecular diffusion. The model was tested with a generic example, where two reactions proceeded simultaneously in the aqueous and oil phases. The example (i.e., fatty acid epoxidation) illustrated the power of real multiphase model in epoxidation processes.The proposed modeling concept can be used for optimization purposes for applications, which comprise a complex water-oil-solid catalyst system.

Epoxidation of Vegetable Oils via the Prilezhaev Reaction Method: A Review of the Transition from Batch to Continuous Processes

“…199 However, in the proposed model, some simplifying assumptions were made and the energy balance was not taken into account, but considering the diffusion inside the solid particle represented a good starting point for the development of further models addressing the epoxidation via the Prilezhaev in the presence of heterogeneous catalysts. Salmi et al 200 developed a rigorous model which took into account all the mass-transfer resistances between the phases, namely inside the pores of the catalyst particles, in the stagnant liquid surrounding the solid, inside the dispersed phase droplets and in the stagnant liquid surrounding the disperse phase droplets. The model was developed considering the organic phase as the dispersed one, and it was represented as rigid spheres of the equal diameters, but the diameter of these spheres could change because of the change of physical properties along the chemical reactions.…”

“…Salmi et al developed a rigorous model which took into account all the mass-transfer resistances between the phases, namely inside the pores of the catalyst particles, in the stagnant liquid surrounding the solid, inside the dispersed phase droplets and in the stagnant liquid surrounding the disperse phase droplets. The model was developed considering the organic phase as the dispersed one, and it was represented as rigid spheres of the equal diameters, but the diameter of these spheres could change because of the change of physical properties along the chemical reactions.…”

Study on Reaction Mechanism and Process Safety for Epoxidation

“…Epoxidation of alkenes is a very important oxidation reaction, which aims to form an epoxide compound by adding one atom of oxygen between the carbon atoms at both ends of the double bond of alkenes . The Epoxide compound is one of the most valuable compounds in the pharmaceutical and spice industries. − In addition, it has an active ternary epoxy structure, which is prone to ring-opening reactions under various conditions, resulting in high-value-added chemical products and intermediates. , At present, the traditional epoxidation methods are mostly used in industry, the halogen alcohol method and peroxide acid method are mainly used to prepare epoxide compounds . The halogen alcohol method was widely used in the early industrial preparation of Epoxide, but its synthesis process was complicated, and the separation and treatment of byproducts were difficult and then caused serious environmental pollution.…”

“… 3 − 5 In addition, it has an active ternary epoxy structure, which is prone to ring-opening reactions under various conditions, resulting in high-value-added chemical products and intermediates. 6 , 7 At present, the traditional epoxidation methods are mostly used in industry, the halogen alcohol method and peroxide acid method are mainly used to prepare epoxide compounds. 8 The halogen alcohol method 9 was widely used in the early industrial preparation of Epoxide, but its synthesis process was complicated, and the separation and treatment of byproducts were difficult and then caused serious environmental pollution.…”