Kinetic model for homogeneously catalyzed halogenation of glycerol

A1 Originalartikel i en vetenskaplig tidskrift (referentgranskad)

Interna författare/redaktörer

Publikationens författare: Cesar A. de Araujo Filho, Tapio Salmi, Andreas Bernas, J.-P. Mikkola
Förläggare: ACS
Publiceringsår: 2013
Tidskrift: Industrial & Engineering Chemistry Research
Tidskriftsakronym: Ind. Eng. Chem. Res.
Volym: 52
Nummer: 4
Artikelns första sida, sidnummer: 1523
Artikelns sista sida, sidnummer: 1530
eISSN: 1520-5045


A new kinetic model for the halogenation of polyalcohols (e.g., chlorination of glycerol with gaseous HCl in the presence of homogeneous acid catalysts) was developed. The model is based on a reaction mechanism, which includes esterification and epoxidation steps followed by halogenation steps. The principle of quasi-steady state was applied to the ester and ionic intermediates appearing in the model and rate equations were derived. Furthermore, some simplified cases of the rate equations were considered, such as immediate water removal from the reaction mixture and analytical solutions for the simplified kinetic models were derived. The model was verified against experimental data obtained from laboratory-scale semibatch reactors. The conclusion is that the model worked very well, predicting correctly the glycerol conversion and the product distribution of α-, β-, α,β- and α,γ-chlorinated products. The kinetic model can be used for the design of reactors for homogeneously catalyzed halogenation.

Senast uppdaterad 2019-16-12 vid 04:54