A systematic study on immiscible binary systems undergoing thermal/photo reversible chemical reactions

Li, Changhao; Li, Jianfeng; Zhang, Hongdong; Yang, Yuliang

doi:10.1039/d2cp04526e

Cited by 1 publication

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References 38 publications

(88 reference statements)

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“…Yu et al [13] investigated the phase separation behavior of IPN microgel particles by computer simulation of sequential template synthesis of IPN microgel particles and investigated the effect of interactions between primary and secondary network components on the polymerization process. Additionally, to design and control the spatial distribution of multiphase polymer morphology, scholars coupled spatially nonuniform reactions with the phase separation process of polymer mixtures, being realized by using photochemical reactions [14][15][16] . In such research, the variable quenching depth gradient was introduced into the photoreactive mixture to control its phase separation kinetics by a light intensity gradient.…”

Section: Introductionmentioning

confidence: 99%

Dissipative Particle Dynamics Study on the Phase Region of Spatial Gradient Materials Produced by Photoinduced Isomerization

Li,

Gao,

Zhao

et al. 2024

Macro Theory & Simulations

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Spatial gradient materials occupy an important research position in the field of functional materials with their unique porous structure. Gradient changes in pore size and density distribution have received extensive attention in the fields of biomimetic and smart materials. The gradient transition law is mathematically related to the driving force of isomerization reaction and component phase separation. In this study, a dissipative particle dynamics simulation is used to introduce photoisomerization reactions into the system. Lambert's law was used to construct a reaction model for the variation of light intensity with irradiation depth, and a gradient structure with a spatial transition law was obtained. The effects of the extinction coefficient ε, the initial reaction probability Pr0, and the interactions α(A,B) between the isomerized molecules as well as the viscosity on the formation of the gradient structure were investigated in detail. Furthermore, the mathematical proportionality between the size of the phase region and the interfacial energy of the two phases is elucidated. This study provides preliminary computational insights into the factors affecting the photo‐induced phase separation process of polymeric gradient materials. It may help to develop effective strategies to improve the phase separation and properties of polymer gradient materials in subsequent studies.This article is protected by copyright. All rights reserved

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Section: Introductionmentioning

confidence: 99%

Dissipative Particle Dynamics Study on the Phase Region of Spatial Gradient Materials Produced by Photoinduced Isomerization

Li,

Gao,

Zhao

et al. 2024

Macro Theory & Simulations

View full text Add to dashboard Cite

show abstract

A systematic study on immiscible binary systems undergoing thermal/photo reversible chemical reactions

Abstract: In this work, we systematically study an immiscible binary system undergoing thermal/photo reversible reactions in theory. For the thermal reaction case, no dissipative structures can be formed and only uniform...

Cited by 1 publication

References 38 publications

Dissipative Particle Dynamics Study on the Phase Region of Spatial Gradient Materials Produced by Photoinduced Isomerization

Dissipative Particle Dynamics Study on the Phase Region of Spatial Gradient Materials Produced by Photoinduced Isomerization

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