2019
DOI: 10.1039/c8sm02089b
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Numerical modelling of non-ionic microgels: an overview

Abstract: We review numerical models of neutral microgels, going from the atomistic to the single-particle level.

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Cited by 85 publications
(80 citation statements)
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“…for a fully charged diamond lattice network where charges are also modelled by a Debye-Hückel potential. In that work, regular oscillations in the density profiles were observed, due to the underlying presence of a regular mesh of the network, as also discussed previously for non-ionic microgels 25. Such oscillations were further enhanced in the presence of charges, leading to unrealistic density profiles.…”
supporting
confidence: 78%
See 1 more Smart Citation
“…for a fully charged diamond lattice network where charges are also modelled by a Debye-Hückel potential. In that work, regular oscillations in the density profiles were observed, due to the underlying presence of a regular mesh of the network, as also discussed previously for non-ionic microgels 25. Such oscillations were further enhanced in the presence of charges, leading to unrealistic density profiles.…”
supporting
confidence: 78%
“…based on the diamond lattice, which cannot take into account the disordered nature of real polymer networks. 25 In order to go beyond mean-field and to account in a more realistic way for the effect of the network topology, in this work we perform extensive simulations of charged microgels modelled as disordered networks. We start by preparing neutral microgel configurations following previous works, 38,39 ensuring that the internal microgel structure reproduces the swelling behavior and form factors of experimental non-ionic microgels.…”
Section: Introductionmentioning
confidence: 99%
“…The importance of micro-and nanogels stimulated the application of many different approaches, experimental and theoretical, to study their structural, mechanical, and rheological properties [48][49][50][51][52][53][54][55][56][57][58][59][60]. In particular, computer simulations on these systems have experienced an important development in very recent years with the adoption of a more realistic representation of the polymer network, moving away from the lattice or regular structures used in former models [57,61,62]. In this context, two years ago we presented the first coarse-grained simulation model of magnetic nanogels with a non regular internal structure [63].…”
Section: Introductionmentioning
confidence: 99%
“…Several efforts to provide realistic models have been reported very recently. [34][35][36][37][38] See, e.g., the recent reviews 26,39 for more details about the progress on modelling gel-like colloidal particles.…”
Section: Introductionmentioning
confidence: 99%