Chakrabarty Satadru, Upadhyay Prachi, Chakma Sankar
Department of Chemical Engineering, Indian Institute of Science Education and Research Bhopal, Bhopal 462066, Madhya Pradesh, India.
Department of Chemical Engineering, Indian Institute of Science Education and Research Bhopal, Bhopal 462066, Madhya Pradesh, India.
Ultrason Sonochem. 2021 Jul;75:105580. doi: 10.1016/j.ultsonch.2021.105580. Epub 2021 Apr 29.
The present study reports the experimental and theoretical investigation for production of ultra-low sulfur liquid fuels through estimation of various reactive species formed during the reaction with the help of simulation. All the experiments were performed using an ultrasound bath which operates at a frequency of 37 kHz and a theoretical power of 95 W. The presented oxalate-based technique is found to be more efficient with > 93% DBT oxidation within 15 min of reaction time at 25 °C due to formation of reactive species like FeCO and [Formula: see text] which accelerate the reaction kinetics. Moreover, we have also investigated the influence of process parameters such as molar ratio of CO/Fe, oxidant concentration, volume ratio of organic to aqueous phase, sulfur concentration, and activation methods of oxidant. The results revealed that catalyst can be reused for several runs without decrease in catalytic activity. The experimental and simulation of cavitation bubble dynamics results revealed that sonochemical effect assists to accelerate the reaction kinetics through formation of free radicals (O, H, OH and HO) and other reactive species like O and HO generated during transient cavitation. The sono-physical effects of cavitation help to create a fine emulsion in the liquid-liquid heterogeneous system leading to enhanced mass transfer rate by providing more interfacial surface area for occurring chemical reaction.
本研究报告了通过模拟估算反应过程中形成的各种活性物种来生产超低硫液体燃料的实验和理论研究。所有实验均使用频率为37kHz、理论功率为95W的超声浴进行。结果发现，所提出的基于草酸盐的技术效率更高，在25℃下反应15分钟内，二苯并噻吩（DBT）氧化率>93%，这是由于形成了FeCO和[化学式：见原文]等活性物种，加速了反应动力学。此外，我们还研究了工艺参数如CO/Fe摩尔比、氧化剂浓度、有机相与水相体积比、硫浓度以及氧化剂活化方法的影响。结果表明，催化剂可重复使用多次而催化活性不降低。空化泡动力学的实验和模拟结果表明，声化学效应通过形成自由基（O、H、OH和HO）以及瞬态空化过程中产生的其他活性物种如O和HO来加速反应动力学。空化的声物理效应有助于在液-液非均相体系中形成精细乳液，通过为化学反应提供更多的界面表面积来提高传质速率。
