Studying synthesis confinement effects on the internal structure of nanogels in computer simulations

Autor: Sofia S. Kantorovich, Elena S. Minina, Pedro A. Sánchez, Christos N. Likos
Rok vydání: 2019
Předmět:
COMPUTER SIMULATION
Materials science
FOS: Physical sciences
Ionic bonding
INTERNAL STRUCTURE
RANDOMLY CROSSLINKED POLYMER NETWORKS
macromolecular substances
02 engineering and technology
Condensed Matter - Soft Condensed Matter
CONFINEMENT EFFECTS
010402 general chemistry
01 natural sciences
Central region
Materials Chemistry
Irradiation
Physical and Theoretical Chemistry
Spectroscopy
Topology (chemistry)
chemistry.chemical_classification
PARTICLE SIZE ANALYSIS
CROSSLINKED POLYMER NETWORKS
POLYMER-LIKE STRUCTURES
STRUCTURAL PARAMETER
technology
industry
and agriculture
NANOSTRUCTURED MATERIALS
COMPUTER SIMULATIONS
Polymer
021001 nanoscience & nanotechnology
Condensed Matter Physics
Atomic and Molecular Physics
and Optics
0104 chemical sciences
Electronic
Optical and Magnetic Materials
Solvent
RANDOM CROSS-LINKING
MOLECULAR POLYMERS
chemistry
NANOGELS
Chemical physics
CROSSLINKING
Soft Condensed Matter (cond-mat.soft)
POLYMERS
0210 nano-technology
Nanogel
Zdroj: J Mol Liq
Journal of Molecular Liquids
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2019.111066
Popis: We study the effects of droplet finite size on the structure of nanogel particles synthesized by random crosslinking of molecular polymers diluted in nanoemulsions. For this, we use a bead-spring computer model of polymer-like structures that mimics the confined random crosslinking process corresponding to irradiation- or electrochemically-induced crosslinking methods. Our results indicate that random crosslinking under strong confinement can lead to unusual nanogel internal structures, with a central region less dense than the external one, whereas under moderate confinement the resulting structure has a denser central region. We analyze the topology of the polymer networks forming nanogel particles with both types of architectures, their overall structural parameters, their response to the quality of the solvent and compare the cases of non-ionic and ionic systems. © 2019 Elsevier B.V.
Databáze: OpenAIRE
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