Solvent-free direct preparation of dichloropropanol (DCP) from glycerol and hydrochloric acid gas was carried out in a batch reactor with a variation of reaction conditions (agitation speed, reaction time, reaction temperature, and reaction pressure), amount of H 3 PW 12 O 40 catalyst, and amount of water absorbent (silica gel blue). The reaction was conducted at high agitation speed in order to avoid mass transfer limitation between glycerol and hydrochloric acid gas. In the direct preparation of DCP from glycerol and hydrochloric acid gas, DCP formation was increased with increasing reaction time, reaction temperature, and reaction pressure. Chlorination of glycerol occurred via the following consecutive reaction steps: glycerol→monochloropropanediol (MCPD)→dichloropropanol (DCP)→trichlo-ropropane (TCP). Reaction rate decreased in the order of first-step reaction>second-step reaction>third-step reaction. The presence of H 3 PW 12 O 40 catalyst and water absorbent (silica gel blue) enhanced the formation of DCP. DCP formation was increased with increasing the amount of H 3 PW 12 O 40 catalyst and water absorbent (silica gel blue). Strong Brönsted acid site of H 3 PW 12 O 40 catalyst and water removal from the reaction system favorably served in improving DCP formation.
A new reaction model for dichloropropanol (DCP) synthesis from glycerol chlorination is proposed based on the models reported by Tesser et al. (2007) and Luo et al. (2009). Two reaction steps, glycerol to glycerol-1-acetate and α-MCP to 3-chloropropandiol-1-acetate, were defined as reversible reactions and other reaction steps were defined as irreversible processes. Using the experimental data reported by Luo et al. (2009), the values predicted in this study were compared with the previous model reported by Luo et al. (2009) using both the average absolute deviation (AAD) and root mean square deviation (RMSD). The AAD and RMSD of the new model were 31% and 33% lower than that of the existing one, respectively. Overall, the proposed model for glycerol chlorination is superior to the previous model.
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