Catalyst-free and solvent-free oxidation of cycloalkanes(C5-C8) with molecular oxygen:Determination of autoxidation temperature and product distribution

Autoxidation of cycloalkanes(C5–C8) with molecular oxygen under catalyst-free and solvent-free conditions was conducted systematically for the first time, focusing on the autoxidation temperature and product distribution. The autoxidation of cyclopentane, cyclohexane, cycloheptane and cyclooctane occurs at 120 ℃,130 ℃, 120 ℃, and 105 ℃ respectively, with obvious oxidized products formation. At 140 ℃, 145 ℃, 130 ℃ and 125 ℃, acceptable yields of the oxidized products could be obtained for them, and the oxidized product distributions were investigated in detail. The autoxidation of cycloalkanes follows the pseudo-first-order kinetic model and the apparent activation energies(E_a) for the autoxidation of cyclopentane and cyclohexane are 159.76 kJ·mol^(-1) and 86.75 kJ·mol^(-1) respectively. This study can act as an important reference in screen of suitable reaction temperature and comparison of the performance of various catalysts in the catalytic oxidation of cycloalkanes in the attempt to enhance the oxidized product selectivity.

A new method to solve the Reynolds equation including mass-conserving cavitation by physics informed neural networks(PINNs)with both soft and hard constraints

In this work,a new method to solve the Reynolds equation including mass-conserving cavitation by using the physics informed neural networks(PINNs)is proposed.The complementarity relationship between the pressure and the void fraction is used.There are several difficulties in problem solving,and the solutions are provided.Firstly,the difficulty for considering the pressure inequality constraint by PINNs is solved by transferring it into one equality constraint without introducing error.While the void fraction inequality constraint is considered by using the hard constraint with the max-min function.Secondly,to avoid the fluctuation of the boundary value problems,the hard constraint method is also utilized to apply the boundary pressure values and the corresponding functions are provided.Lastly,for avoiding the trivial solution the limitation for the mean value of the void fraction is applied.The results are validated against existing data,and both the incompressible and compressible lubricant are considered.Good agreement can be found for both the domain and domain boundaries.

氧气催化氧化环己烷

本文系统综述了O_2氧化剂用于环己烷催化氧化体系的研究进展,包括金属配合物催化、金属纳米粒子催化、金属氧化物粒子催化、分子筛催化、碳材料催化、光促进催化、杂多酸催化、金属-有机骨架材料催化等。本文认为研究、开发以O_2为氧化剂,高活性高选择性的非均相环己烷催化氧化体系将成为今后环己烷催化氧化研究的主要方向,尤其是多金属甚至多元素复合体系。本综述不仅对开发高催化活性高选择性的环己烷催化氧化体系,改进目前工业上的环己醇环己酮制备工艺具有重要的参考价值,而且还对其他烃类C—H键和C—C键高效催化氧化体系甚至其他氧化体系的研究与开发也具有重要的参考价值。