Modeling of the Co-Mn-Br catalyzed liquid phase oxidation of p-xylene to terephthalic acid and m-xylene to isophthalic acid

Kinetic Modeling of Homogenous Catalytic Oxidation of 5-Hydroxymethylfurfural to 2,5-Furandicarboxylic Acid

“…As is well-known, reaction kinetics are of great importance not only for reactor design and industrial applications but also for understanding the reaction mechanism and determining the influence of various parameters on the oxidation process. Since FDCA is similar in molecular structure to terephthalic acid (TPA), they share many common features, from production to applications in the polyester industry, to the mechanism of oxidation reaction. , Over the past half century, various important research contributions have reported on the fields of oxidation mechanisms, kinetics, and process simulation of the oxidation of PX to TPA. ,− However, compared to the extensive research on PX oxidation, there are few studies focusing on the reaction mechanism based kinetics of the liquid-phase oxidation of HMF to FDCA. Zuo developed a lumped pseudo-first-order kinetic model for the liquid-phase oxidation of HMF to FDCA, taking into account the effect of gas–liquid mass transfer.…”

Understanding the Co/Mn/Br Synergistic Catalysis in Liquid Phase Oxidation of 5-Hydroxymethyl Furfural to 2,5-Furandicarboxylic Acid Based on the Effective Collision Theory

“…The Co/Mn/Br ions are considered as hard spheres of different sizes, and the collision between different hard spheres leads to the occurrence of reaction. 21 To learn from the studies of gas kinetic theory, the collision frequency between molecules A and B can be expressed as follows…”

“…According to this theory, the prerequisite for the chemical reaction involves the collisional interaction between the molecules participating in the process. The Co/Mn/Br ions are considered as hard spheres of different sizes, and the collision between different hard spheres leads to the occurrence of reaction . To learn from the studies of gas kinetic theory, the collision frequency between molecules A and B can be expressed as follows Z normalA normalB = π d normalA normalB 2 L 2 8 R T π μ C normalA C normalB = f normalA normalB T C normalA C normalB f normalA normalB = π d normalA normalB 2 L 2 8 R π μ μ = M normalA M normalB M normalA + M normalB in eq , Z AB : collision frequency of A and B; μ: average molar mass of A and B; T : ambient temperature; C A : molar concentration of A; C B : molar concentration of B; d AB : effective radius of A and B; and L : Avogadro constant.…”

“…In this work, we modeled the influences of Co/Mn/Br based on the collision theory developed in our previous work in paraxylene oxidation. 21 In this model, two parameters, i.e., α and β were introduced to describe the interaction of catalyst components including Co 2+ /Co 3+ , Mn 2+ /Mn 3+ , and Br − . Among them, α and β are related to the effective collision of Co and Mn ions with Br − , respectively.…”

Chromogenic detection of xylene isomers and luminogenic chemosensing of o-xylene employing a new macrocyclic cobalt complex: synthesis, and X-ray crystallographic, spectroscopic and computational studies

“…42 Lyu and coworkers employed a Co-Mn-Br ternary catalyst for p -xylene or m -xylene oxidation in the liquid phase and investigated the effects of the Co/Mn ratio and water content in HOAc/H 2 O on the side reaction rate for the p -xylene and m -xylene oxidation. 43 Xu and coworkers reported the preparation of Co-BTC (BTC = benzenetricarboxylate), enjoying a nonporous structure. 44 Co-BTC can act as a co-catalyst in the oxidation of p -xylene to terephthalic acid when combined with N , N -dihydroxypyromellitimide.…”