The DOI matches its Crossref record; 12 of the 12 references it cites were found in a registry or an index.
Interphase Structure in Silica–Polystyrene Nanocomposites: A Coarse-Grained Molecular Dynamics Study
Abstract
Silica nanoparticles (NPs) embedded in atactic polystyrene (PS) are simulated using coarse-grained (CG) potentials obtained via iterative Boltzmann inversion (IBI). The potentials are parametrized and validated on polystyrene of 2 kDa (i.e., chains containing 20 monomers). It is shown that the CG potentials are transferable between different systems. The structure of the polymer chains is strongly influenced by the NP. Layering, chain expansion, and preferential orientation of segments as well as of entire chains are found. The extent of the structural perturbation depends on the details of the system: bare NPs vs NPs grafted with PS chains, grafting density (0, 0.5, and 1 chains/nm 2 ), length of the grafted chains (2 and 8 kDa), and the matrix chains (2–20 kDa). For example, there is a change in the swelling state for the grafted corona (8 kDa, 1 chains/nm 2 ), when the matrix polymer is changed from 2 to > 8 kDa. This phenomenon, sometimes called “wet brush to dry brush transition”, is in good agreement with neutron scattering investigations. Another example is the behavior of the radius of gyration of free polymer chains close to the NP. Short chains expand compared to the bulk, whereas chains whose unperturbed radius of gyration is larger than that of the NP contract.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Deriving effective mesoscale potentials from atomistic simulations
Reith, D., Pütz, M., & Müller‐Plathe, F. (2003) · Journal of Computational Chemistry · doi:10.1002/jcc.10307 · Cited by 1,314
Self-citationMolecular dynamics simulation of a polymer melt with a nanoscopic particle
Starr, F. W., Schrøder, T. B., & Glotzer, S. C. (2002) · Macromolecules · doi:10.1021/ma010626p · Cited by 511
Milano, G., & Müller-Plathe, F. (2005) · The Journal of Physical Chemistry B · doi:10.1021/jp0523571 · Cited by 260
Self-citationTemperature-transferable coarse-grained potentials for ethylbenzene, polystyrene, and their mixtures
Qian, H.-J., Carbone, P., Chen, X., Karimi-Varzaneh, H. A., Liew, C. C., & Müller-Plathe, F. (2008) · Macromolecules · doi:10.1021/ma801910r · Cited by 247
Self-citationTransferability of coarse-grained force fields: The polymer case
Carbone, P., Varzaneh, H. A. K., Chen, X., & Müller-Plathe, F. (2008) · The Journal of Chemical Physics · doi:10.1063/1.2829409 · Cited by 219
Self-citationDynamics of polystyrene melts through hierarchical multiscale simulations
Harmandaris, V. A., & Kremer, K. (2009) · Macromolecules · doi:10.1021/ma8018624 · Cited by 215
Spyriouni, T., Tzoumanekas, C., Theodorou, D., Müller-Plathe, F., & Milano, G. (2007) · Macromolecules · doi:10.1021/ma0700983 · Cited by 204
Self-citationMontes, H., Lequeux, F., & Berriot, J. (2003) · Macromolecules · doi:10.1021/ma0344590 · Cited by 189
Comparison between coarse-graining models for polymer systems: Two mapping schemes for polystyrene
Harmandaris, V. A., Reith, D., van der Vegt, N. F. A., & Kremer, K. (2007) · Macromolecular Chemistry and Physics · doi:10.1002/macp.200700245 · Cited by 179
Effect of silica nanoparticles on the local segmental dynamics in poly (vinyl acetate)
Bogoslovov, R. B., Roland, C. M., Ellis, A. R., Randall, A. M., & Robertson, C. G. (2008) · Macromolecules · doi:10.1021/ma702372a · Cited by 176
Crossover from unentangled to entangled dynamics in a systematically coarse-grained polystyrene melt
Sun, Q., & Faller, R. (2006) · Macromolecules · doi:10.1021/ma0514774 · Cited by 85
Coarse-grained computer simulation of nanoconfined polyamide-6, 6
Eslami, H., Karimi-Varzaneh, H. A., & Müller-Plathe, F. (2011) · Macromolecules · doi:10.1021/ma102320v · Cited by 61
Self-citation
Cited by
Nanocomposites with Polymer Grafted Nanoparticles
Kumar, S. K., Jouault, N., Benicewicz, B., & Neely, T. (2013) · Macromolecules · doi:10.1021/ma4001385 · Cited by 772
Coarse-grained modeling of polystyrene in various environments by iterative Boltzmann inversion
Bayramoglu, B., & Faller, R. (2012) · Macromolecules · doi:10.1021/ma301280b · Cited by 86
Eslami, H., & Müller-Plathe, F. (2013) · The Journal of Physical Chemistry C · doi:10.1021/jp400142h · Cited by 76
Self-citation
Metadata
- Authors
- Ghanbari, A., Ndoro, T. V. M., Leroy, F., Rahimi, M., Böhm, M. C., & Müller-Plathe, F.
- Venue
- Macromolecules
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-12-06
- Volume
- 45
- Issue
- 1
- Pages
- 572-584
- ISSN
- 0024-9297 (ISSN-L)
- 1520-5835
- OpenAlex
- W1985583806
- Cited by
- 196
- References
- 12
- FWCI
- 10.64
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
