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对乙酰氨基酚及其主要转化产物光催化降解的动力学建模

Kinetic modeling of the photocatalytic degradation of acetaminophen and its main transformation products.

作者信息

López Zavala Miguel Ángel, Delgado Juárez Jocelín Alí

机构信息

Tecnologico de Monterrey, School of Engineering and Science, Av. Eugenio Garza Sada Sur No. 2501, Col. Tecnológico, Monterrey, N. L., C.P. 64849, Mexico.

出版信息

Heliyon. 2024 Jul 23;10(15):e34813. doi: 10.1016/j.heliyon.2024.e34813. eCollection 2024 Aug 15.

DOI:10.1016/j.heliyon.2024.e34813
PMID:39157401
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11328084/
Abstract

In this study, a kinetic model of the heterogeneous photocatalytic degradation of acetaminophen and its main transformation products is presented. Kinetic photocatalytic modeling and photon absorption rate modeling were included. Monte Carlo method was used to model the photon absorption process. Experiments were carried out in a reactor operated in batch mode and TiO nanotubes were used as photocatalyst irradiated with 254 nm UVC. Kinetic parameters were estimated from the experiments data by applying a non-linear regression procedure. Intrinsic expressions to the kinetics of acetaminophen degradation and its main transformation products were derived. Model, kinetics and photon absorption formulations and parameters proved to be affordable for describing the photocatalytic degradation of acetaminophen, but improvements should be done for better description of formation and oxidation kinetics of main transformation products. The model should be tested with other pharmaceuticals and emergent pollutants to calibrate it and evaluate its applicability in a wide range of compounds.

摘要

在本研究中，提出了对乙酰氨基酚及其主要转化产物的多相光催化降解动力学模型。其中包括动力学光催化建模和光子吸收速率建模。采用蒙特卡罗方法对光子吸收过程进行建模。实验在间歇模式运行的反应器中进行，使用TiO纳米管作为光催化剂，并用254nm的UVC进行照射。通过应用非线性回归程序从实验数据中估计动力学参数。推导了对乙酰氨基酚降解及其主要转化产物动力学的本征表达式。模型、动力学以及光子吸收公式和参数被证明可用于描述对乙酰氨基酚的光催化降解，但为了更好地描述主要转化产物的生成和氧化动力学，仍需改进。该模型应用于其他药物和新兴污染物进行测试，以校准模型并评估其在广泛化合物中的适用性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/c8bb405d1c38/gr10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/b69e2830fce2/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/6db69b9cf10c/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/885811d88921/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/7213ed1fc123/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/750821570aac/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/1845321370e9/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/8e2edc7dc1ab/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/c8366df04e07/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/9bc4ed5ae0c1/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/c8bb405d1c38/gr10.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/b69e2830fce2/gr1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/6db69b9cf10c/gr2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/885811d88921/gr3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/7213ed1fc123/gr4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/750821570aac/gr5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/1845321370e9/gr6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/8e2edc7dc1ab/gr7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/c8366df04e07/gr8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/9bc4ed5ae0c1/gr9.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7edb/11328084/c8bb405d1c38/gr10.jpg

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