首页|超临界CO2萃取去除焦化废水中苯酚机理分析

超临界CO2萃取去除焦化废水中苯酚机理分析

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焦化废水处理难度大,有机污染物种类繁多复杂,苯酚作为其中最难降解的产物之一,高效去除苯酚是一大难题。应用超临界CO2萃取法,采用模拟废水探讨了压力、温度、CO2停留时间、V(乙醇)、CO2流量等工艺参数对焦化废水中苯酚去除效果的影响。采用单因素实验确定最优参数,并基于IBM SPSS Statistics软件设计正交实验,进行参数优化。结果表明V(乙醇)对苯酚去除率的影响最为显著,在最佳工艺条件下,苯酚的平均去除率为99。87%。另外,基于Gaussian 09W软件进行了量子化学计算超临界CO2萃取法去除苯酚的机理分析,模拟结果表明苯酚分子中羟基上的氢原子与乙醇分子中的氧原子形成氢键,乙醇中的氢原子与CO2中氧原子形成氢键。研究策略的实施为焦化废水中苯酚的去除提供新方向,为苯酚的回收再利用提供可行性方案,为其他富含苯酚类有毒有害有机物的废水处理提供新思路。
Analysis of mechanism of supercritical CO2 extraction to remove phenol from coking wastewater
Coking wastewater treatment is difficult,there are many kinds of organic pollutants,phenol as one of the most difficult to degrade products,how to efficiently remove phenol is a big problem.In this paper,the supercritical CO2 extraction method was used to explore the effects of process parameters such as pressure,temperature,CO2 residence time,entrainer concentration,and CO2 flow rate on the removal effect of phenol in coking wastewater by using supercritical CO2 extraction method.Univariate experiments were used to determine the optimal parameters,and orthogonal experiments were designed based on IBM SPSS Statistics software to optimize the parameters.The results showed that the amount of ethanol added had the most significant effect on the removal rate of phenol,and the average removal rate of phenol was 99.87%under the optimal process conditions.In addition,the mechanism of phenol removal by supercritical carbon dioxide extraction method was analyzed based on Gaussian 09W software.The simulation results show that the hydrogen atoms on the hydroxyl group in the phenol molecule form hydrogen bonds with the oxygen atoms in the ethanol molecule,and the hydrogen atoms in the ethanol molecule form hydrogen bonds with the oxygen atoms in the CO2 molecule.The implementation of this research strategy provides a new direction for the removal of phenol in coking wastewater,a feasible scheme for the recycling and reuse of phenol,and a new idea for the treatment of other wastewater rich in phenol-rich toxic and harmful organic compounds.

Supercritical CO2 extractionCoking wastewaterPhenolOrthogonal experimentMechanism analysis

刘胜敏、廖传华、汪明星、刘畅、王银峰、廖佳凯、陈琳

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南京工业大学机械与动力工程学院,江苏南京 211816

南京三方化工监理有限公司,江苏南京 210036

超临界CO2萃取 焦化废水 苯酚 正交实验 机理分析

江苏省重点研发计划

BE2020115

2024

化工科技
中国石油天然气股份有限公司吉林石化分公司

化工科技

CSTPCD
影响因子:0.386
ISSN:1008-0511
年,卷(期):2024.32(2)