Photodegradation of bisphenol A by ZnS combined with H2O2: Evaluation of photocatalytic activity, reaction parameters, and DFT calculations

光降解 光催化 光化学 化学 氧化剂 质子化 双酚A 分子轨道 催化作用 反应性(心理学) 背景(考古学) 有机化学 分子 环氧树脂 古生物学 离子 替代医学 病理 生物 医学
作者
Mayre Manny Porto Barros,Karla Jackeline Costa Almeida,Marcus Vinicius Sousa Conceição,Douglas Henrique Pereira,Gleice Botelho
出处
期刊:Journal of Molecular Liquids [Elsevier BV]
卷期号:371: 121096-121096 被引量:20
标识
DOI:10.1016/j.molliq.2022.121096
摘要

Bisphenol A (BFA) is a synthetic emergent contaminant with wide industrial applications and resistant to degradation by conventional treatment methods, which makes the use of heterogeneous photocatalysis a promising alternative. In this context, a theoretical and experimental study on the photodegradation of BFA was carried out under ultraviolet–visible (UV) radiation using a ZnS photocatalyst. The structural, optical, and morphological properties of the samples were investigated. The effect of the reactional parameters (catalyst dose, initial pH, and H2O2 concentration) on the photocatalyst efficiency was studied, and the concentrations of BFA were measured by UV/Vis spectroscopy. Adding an oxidizing agent (H2O2) to ZnS was crucial for achieving photodegradation of 97.2 % after 120 min of exposure to UV light. Based on the results of theoretical calculations, it was possible to evaluate how the pH changes the UV/Vis spectra, the frontier molecular orbitals, the molecular electrostatic potential of the protonated and deprotonated species of bisphenol A and thus evaluate that the neutral pH is the most suitable for the application of the photocatalytic process. The reactivity indices indicated that the BFA is reactive, exhibited a strong electron attraction and thus can react with the radical species formed. The most significant contributions to the electronic transitions are between the HOMO to the LUMOs, which elucidate the main electronic characteristics of the BFA for the photodegradation process. Considering to satisfactory photocatalytic activity and stability, ZnS combined with H2O2 has potential for photocatalytic applications.
最长约 10秒,即可获得该文献文件

科研通智能强力驱动
Strongly Powered by AbleSci AI
更新
PDF的下载单位、IP信息已删除 (2025-6-4)

科研通是完全免费的文献互助平台,具备全网最快的应助速度,最高的求助完成率。 对每一个文献求助,科研通都将尽心尽力,给求助人一个满意的交代。
实时播报
1秒前
1秒前
1秒前
慕青应助guozizi采纳,获得10
1秒前
2秒前
1234发布了新的文献求助10
2秒前
小唐完成签到,获得积分20
3秒前
笨脑腐发布了新的文献求助10
4秒前
小妤丸子完成签到,获得积分10
4秒前
4秒前
qqzhang发布了新的文献求助10
5秒前
5秒前
saaa完成签到,获得积分10
5秒前
猪猪hero发布了新的文献求助10
5秒前
Giinjju发布了新的文献求助10
6秒前
HML完成签到,获得积分10
6秒前
8秒前
8秒前
桐桐应助无奈尔曼采纳,获得10
8秒前
飞天意面发布了新的文献求助10
8秒前
SciGPT应助guozizi采纳,获得10
8秒前
zzz完成签到 ,获得积分10
8秒前
YANG完成签到,获得积分10
9秒前
9秒前
9秒前
dou发布了新的文献求助10
9秒前
11秒前
回应吧五月天完成签到,获得积分10
11秒前
12秒前
12秒前
情怀应助galaxy采纳,获得10
12秒前
CipherSage应助咳咳咳采纳,获得10
12秒前
kyt发布了新的文献求助10
12秒前
13秒前
不入流舞女完成签到,获得积分10
13秒前
反方向的水豚给趣乐多的求助进行了留言
13秒前
13秒前
李爱国应助ZS0901采纳,获得10
14秒前
14秒前
14秒前
高分求助中
A new approach to the extrapolation of accelerated life test data 1000
Technical Brochure TB 814: LPIT applications in HV gas insulated switchgear 1000
ACSM’s Guidelines for Exercise Testing and Prescription, 12th edition 500
Picture Books with Same-sex Parented Families: Unintentional Censorship 500
Nucleophilic substitution in azasydnone-modified dinitroanisoles 500
不知道标题是什么 500
A Preliminary Study on Correlation Between Independent Components of Facial Thermal Images and Subjective Assessment of Chronic Stress 500
热门求助领域 (近24小时)
化学 材料科学 医学 生物 工程类 有机化学 生物化学 物理 内科学 纳米技术 计算机科学 化学工程 复合材料 遗传学 基因 物理化学 催化作用 冶金 细胞生物学 免疫学
热门帖子
关注 科研通微信公众号,转发送积分 3970394
求助须知:如何正确求助?哪些是违规求助? 3515139
关于积分的说明 11177107
捐赠科研通 3250335
什么是DOI,文献DOI怎么找? 1795254
邀请新用户注册赠送积分活动 875732
科研通“疑难数据库(出版商)”最低求助积分说明 805054