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
刚刚
忆枫完成签到,获得积分10
4秒前
炒鸡小将发布了新的文献求助10
4秒前
花壳在逃野猪完成签到 ,获得积分10
4秒前
4秒前
银子吃好的完成签到,获得积分10
5秒前
西瓜霜完成签到 ,获得积分10
5秒前
科研废物完成签到 ,获得积分10
7秒前
冬月完成签到,获得积分10
7秒前
7秒前
马东完成签到,获得积分10
9秒前
搜集达人应助动听的秋白采纳,获得10
9秒前
10秒前
量子星尘发布了新的文献求助10
10秒前
华仔应助炒鸡小将采纳,获得10
11秒前
chizhi完成签到,获得积分10
11秒前
雪雨夜心应助白智妍采纳,获得10
12秒前
祁乐安发布了新的文献求助20
13秒前
fang应助科研通管家采纳,获得10
14秒前
梵高的向日葵完成签到,获得积分10
14秒前
Singularity应助科研通管家采纳,获得10
14秒前
清爽的碧空完成签到,获得积分10
14秒前
天天快乐应助科研通管家采纳,获得10
14秒前
顾矜应助科研通管家采纳,获得10
14秒前
脑洞疼应助科研通管家采纳,获得10
14秒前
fang应助科研通管家采纳,获得10
14秒前
在水一方应助科研通管家采纳,获得10
14秒前
Akim应助科研通管家采纳,获得30
15秒前
fang应助科研通管家采纳,获得10
15秒前
深情安青应助科研通管家采纳,获得10
15秒前
15秒前
15秒前
15秒前
15秒前
16秒前
冷艳后妈完成签到,获得积分20
16秒前
激情的纲完成签到,获得积分10
16秒前
笑点低涵柳完成签到,获得积分10
17秒前
Kir发布了新的文献求助30
19秒前
suodeheng完成签到,获得积分10
22秒前
高分求助中
【提示信息,请勿应助】关于scihub 10000
Les Mantodea de Guyane: Insecta, Polyneoptera [The Mantids of French Guiana] 3000
徐淮辽南地区新元古代叠层石及生物地层 3000
The Mother of All Tableaux: Order, Equivalence, and Geometry in the Large-scale Structure of Optimality Theory 3000
Handbook of Industrial Diamonds.Vol2 1100
Global Eyelash Assessment scale (GEA) 1000
Picture Books with Same-sex Parented Families: Unintentional Censorship 550
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 4038303
求助须知:如何正确求助?哪些是违规求助? 3576013
关于积分的说明 11374210
捐赠科研通 3305780
什么是DOI,文献DOI怎么找? 1819322
邀请新用户注册赠送积分活动 892672
科研通“疑难数据库(出版商)”最低求助积分说明 815029