Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites

AbstractIn this paper we are concerned with the morphology of the polymers adsorbedon surfaces, in particular di-block copolymers. Our work is motivated by the experimental findings of Fladziioannou et al. [1] on the steric forces between two adsorbed layers of di-block poly(vinyl-2-pyridine)\ polystyrene (PV2P\ PS) copolymer on mica surfaces. The PV2P block binds strongly on the mica surfaces and the PS block extends into thesolvent toluene (good solvent for PS). Hadziiouannou et al. found that the repulsive forces between the two surfaces start at a distance 1) larger than 10 times the radius of gyration RG of a free P' in toluene. Furthermore, the starting distance D increases with increasing degree of polymerization N of PS in a fashion I) ~ Na with a close to I. We,tudy the adsorption of di-block copolymer with Monte Carlo simulations. The Monte Carlo simulations are especially powerful in dealing with kinetics which is important in systems where hysteresis is observed II1 and cannot be appropriately taken into account by analytical (or numerical) calculations based onequilibrium assumptions.

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Microphase Separation in Sulfonated Block Copolymers Studied by Monte Carlo Simulations

Macromolecules ◽

10.1021/ma901647b ◽

2009 ◽

Vol 42 (22) ◽

pp. 8925-8932 ◽

Cited By ~ 25

Author(s):

P. Knychała ◽

M. Banaszak ◽

M. J. Park ◽

N. P. Balsara

Keyword(s):

Monte Carlo ◽

Block Copolymers ◽

Monte Carlo Simulations ◽

Microphase Separation

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Monte Carlo Simulations of Nano-Confined Block Copolymers

Nanostructured Soft Matter - NanoScience and Technology ◽

10.1007/978-1-4020-6330-5_16 ◽

2007 ◽

pp. 495-527 ◽

Cited By ~ 5

Author(s):

Qiang Wang

Keyword(s):

Monte Carlo ◽

Block Copolymers ◽

Monte Carlo Simulations

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Monte Carlo simulations of self-assembling star-block copolymers in dilute solutions

Colloids and Surfaces A Physicochemical and Engineering Aspects ◽

10.1016/j.colsurfa.2010.03.022 ◽

2010 ◽

Vol 361 (1-3) ◽

pp. 81-89 ◽

Cited By ~ 12

Author(s):

Alessandro Patti

Keyword(s):

Monte Carlo ◽

Block Copolymers ◽

Monte Carlo Simulations ◽

Dilute Solutions ◽

Self Assembling ◽

Star Block Copolymers

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Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100164854 ◽

1996 ◽

Vol 54 ◽

pp. 478-479

Author(s):

Matthew T. Johnson ◽

Ian M. Anderson ◽

Jim Bentley ◽

C. Barry Carter

Keyword(s):

Monte Carlo ◽

Quantitative Analysis ◽

Monte Carlo Simulations ◽

Cross Section ◽

Spatial Resolution ◽

Low Voltage ◽

Magnesium Ferrite ◽

X Ray ◽

Interaction Volume ◽

Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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