Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles

Abstract The aggregation of variably charged nanoparticles is usually induced by the changes in internal and external conditions, such as solution temperature, pH, particle size, van der Waals force, and electrostatic repulsion among particles. In order to explore the effect of pH on the aggregation...

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Autores principales:	Yu Xiong, Xinmin Liu, Hailing Xiong
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/8085490a26ee4153ae87b6e4b326584e
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spelling	oai:doaj.org-article:8085490a26ee4153ae87b6e4b326584e2021-12-02T19:10:21ZAggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles10.1038/s41598-021-96798-32045-2322https://doaj.org/article/8085490a26ee4153ae87b6e4b326584e2021-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-96798-3https://doaj.org/toc/2045-2322Abstract The aggregation of variably charged nanoparticles is usually induced by the changes in internal and external conditions, such as solution temperature, pH, particle size, van der Waals force, and electrostatic repulsion among particles. In order to explore the effect of pH on the aggregation of variable charge nanoparticles, this paper proposed an extended model based on the 3D on-lattice Cluster–Cluster Aggregation (CCA) model. The extended model successfully established the relationship between pH and sticking probability, and used Smoluchowski theory to calculate the aggregation rate of nanoparticles. The simulation results showed that: (1) the change of the aggregation rate of the variable charge nanoparticles with pH conforms to the Gaussian distribution, (2) the initial particle concentration has a significant effect on the aggregation rate of the nanoparticles, and (3) pH can affect the competition between van der Waals force and electrostatic repulsion between particles, thereby affecting the degree of openness of clusters. The research demonstrated the extended CCA model is valuable in studying the aggregation of the variably charged nanoparticles via transforming the corresponding influence factors into the influence on the sticking probability.Yu XiongXinmin LiuHailing XiongNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-10 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Yu Xiong Xinmin Liu Hailing Xiong Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
description	Abstract The aggregation of variably charged nanoparticles is usually induced by the changes in internal and external conditions, such as solution temperature, pH, particle size, van der Waals force, and electrostatic repulsion among particles. In order to explore the effect of pH on the aggregation of variable charge nanoparticles, this paper proposed an extended model based on the 3D on-lattice Cluster–Cluster Aggregation (CCA) model. The extended model successfully established the relationship between pH and sticking probability, and used Smoluchowski theory to calculate the aggregation rate of nanoparticles. The simulation results showed that: (1) the change of the aggregation rate of the variable charge nanoparticles with pH conforms to the Gaussian distribution, (2) the initial particle concentration has a significant effect on the aggregation rate of the nanoparticles, and (3) pH can affect the competition between van der Waals force and electrostatic repulsion between particles, thereby affecting the degree of openness of clusters. The research demonstrated the extended CCA model is valuable in studying the aggregation of the variably charged nanoparticles via transforming the corresponding influence factors into the influence on the sticking probability.
format	article
author	Yu Xiong Xinmin Liu Hailing Xiong
author_facet	Yu Xiong Xinmin Liu Hailing Xiong
author_sort	Yu Xiong
title	Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
title_short	Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
title_full	Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
title_fullStr	Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
title_full_unstemmed	Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles
title_sort	aggregation modeling of the influence of ph on the aggregation of variably charged nanoparticles
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/8085490a26ee4153ae87b6e4b326584e
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_version_	1718377098036379648

Aggregation modeling of the influence of pH on the aggregation of variably charged nanoparticles

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