10 research outputs found
Toward Predictive Modeling of Petroleum and Biobased Fuel Stability: Kinetics of Methyl Oleate/ n
No full textInsight into the Mechanisms of Middle Distillate Fuel Oxidative Degradation. Part 1: On the Role of Phenol, Indole, and Carbazole Derivatives in the Thermal Oxidative Stability of FischerâTropsch/Petroleum Jet Fuel Blends
No full textRoles of Hydrogen Donors and Organic Selenides in Inhibiting Solid Deposits from Thermal Stressing of n
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Optimization of the Arrhenius Parameters in a Pseudo-detailed Mechanism for Jet Fuel Thermal Oxidation Using Genetic and Simplex Algorithms
No full textAnalysis of Polar Species in Jet Fuel and Determination of Their Role in Autoxidative Deposit Formation â
No full textTheoretical and Experimental Study on the Inhibition of Diethyl Ether Oxidation
No full textInternational audienceThe inhibition mechanism of diethyl ether oxidation was investigated both at the experimental and theoretical (Density Functional Theory-DFT) level in order to find the best inhibitor for such a process. Firstly, a detailed theoretical analysis was conducted by DFT calculations on reactions with 12 potentially effective antioxidants from different chemical classes (phenols, amines, phosphines). Results of this study show that phenolic antioxidants are the best performers to inhibit the process. In particular, the efficacy of butylated hydroxytoluene (BHT), an additive already commonly used in diethyl ether (DEE) storage, was clearly explained from a kinetic (low activation barrier) and a thermodynamic (products stabilization) point of view. The order of effectiveness of the antioxidants obtained from DFT calculations was confirmed by the complementary experimental work on DEE oxidation, conducted under accelerated conditions in autoclaves
