Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

Juan M. R. Albano; Damian Grillo; Julio C. Facelli; Marta B. Ferraro; Mónica Pickholz

LAPSE

Living Archive for Process Systems Engineering

LAPSE:2019.1195

Published Article

LAPSE:2019.1195

Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach

Juan M. R. Albano, Damian Grillo, Julio C. Facelli, Marta B. Ferraro, Mónica Pickholz

November 24, 2019

In this work, we analyzed the behavior of Pluronic F127 through molecular dynamics simulations at the coarse-grain level, focusing on the micellar and lamellar phases. To this aim, two initial polymer conformations were considered, S-shape and U-shape, for both simulated phases. Through the simulations, we were able to examine the structural and mechanical properties that are difficult to access through experiments. Since no transition between S and U shapes was observed in our simulations, we inferred that all single co-polymers had memory of their initial configuration. Nevertheless, most copolymers had a more complex amorphous structure, where hydrophilic beads were part of the lamellar-like core. Finally, an overall comparison of the micellar a lamellar phases showed that the lamellar thickness was in the same order of magnitude as the micelle diameter (approx. 30 nm). Therefore, high micelle concentration could lead to lamellar formation. With this new information, we could understand lamellae as orderly packed micelles.

Record ID

LAPSE:2019.1195

Keywords

lamellar, micellar, molecular dynamics, Pluronic F127, poloxamer

Subject

Materials

Suggested Citation

Albano JMR, Grillo D, Facelli JC, Ferraro MB, Pickholz M. Study of the Lamellar and Micellar Phases of Pluronic F127: A Molecular Dynamics Approach. (2019). LAPSE:2019.1195

Author Affiliations

Albano JMR: Facultad de Ciencias Exactas y Naturales, Departamento de Física, Universidad de Buenos Aires, Buenos Aires 1428, Argentina; Instituto de Física de Buenos Aires (IFIBA), CONICET—Universidad de Buenos Aires, Buenos Aires 1428, Argentina [ORCID]
Grillo D: Facultad de Ciencias Exactas y Naturales, Departamento de Física, Universidad de Buenos Aires, Buenos Aires 1428, Argentina; Instituto de Física de Buenos Aires (IFIBA), CONICET—Universidad de Buenos Aires, Buenos Aires 1428, Argentina
Facelli JC: Department of Biomedical Informatics, University of Utah, 421 Wakara Way, Suite 140, Salt Lake City, UT 84108, USA
Ferraro MB: Facultad de Ciencias Exactas y Naturales, Departamento de Física, Universidad de Buenos Aires, Buenos Aires 1428, Argentina; Instituto de Física de Buenos Aires (IFIBA), CONICET—Universidad de Buenos Aires, Buenos Aires 1428, Argentina [ORCID]
Pickholz M: Facultad de Ciencias Exactas y Naturales, Departamento de Física, Universidad de Buenos Aires, Buenos Aires 1428, Argentina; Instituto de Física de Buenos Aires (IFIBA), CONICET—Universidad de Buenos Aires, Buenos Aires 1428, Argentina
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Journal Name

Processes

Volume

7

Issue

9

Article Number

E606

Year

2019

Publication Date

2019-09-07