Phenol release from pNIPAM hydrogels: scaling molecular dynamics simulations with dynamical density functional theory-Reference-Cited by-同舟云学术

Phenol release from pNIPAM hydrogels: scaling molecular dynamics simulations with dynamical density functional theory

Published:2022 Issue:43 Volume:18 Page:8271-8284
ISSN:1744-683X
Container-title:Soft Matter
language:en
Short-container-title:Soft Matter

Author:

Pérez-Ramírez H. A.¹^ORCID,Moncho-Jordá A.²^ORCID,Odriozola G.¹^ORCID

Affiliation:

1. Área de Física de Procesos Irreversibles, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Azcapotzalco, Avenida San Pablo 180, 02200 Ciudad de México, Mexico

2. Departamento de Física Aplicada, Universidad de Granada, Campus Fuentenueva S/N, 18071 Granada, Spain

Abstract

We obtain the microgel extent of release by feeding free energies and diffusion coefficients from MD to DDFT. We found a good agreement with the available experimental data for pNIPAM particles loaded with phenol.

Funder

Consejo Nacional de Ciencia y Tecnología

Consejería de Conocimiento, Investigación y Universidad, Junta de Andalucía

Publisher

Royal Society of Chemistry (RSC)

Subject

Condensed Matter Physics,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/SM/D2SM01083F

Reference95 articles.

1. Environment-sensitive hydrogels for drug delivery

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