Computer simulations of radiation-cured networks

Shy, Liang-Yuan; Eichinger, B. E.

doi:10.1021/ma00165a021

Cited by 30 publications

(15 citation statements)

References 11 publications

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“…is small in the gels which they use for experiment. However, computer simulations of the radiative crosslinking process by Sly and Eichinger [35] suggest that the presence of pendant chains, the formation of short wasted loops, and the scission of chains are all important factors. The scattering of a network which contains a large fraction of unstrained chains due to this type of defect would obviously be expected to be much closer to the unstrained network scattering.…”

Section: The Phantom Networkmentioning

confidence: 99%

Polydisperse polymer networks : elasticity, orientational properties, and small angle neutron scattering

Higgs

Ball

1988

J. Phys. France

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Résumé. 2014 Les propriétés des réseaux de polymères dépendent de la distribution f(S) des 2014 The properties of polymer networks may be expected to depend upon the distribution, f(S), of chain lengths between crosslinks. We develop a formalism for treating phantom networks which allows the explicit inclusion of an arbitrary f(S) distribution. In bimodal networks we investigate chain orientation in the strained network by calculating P2(cos ~)> and P4(cos ~)> for the long and the short chains separately. The responses of the two species differ markedly from each other, although it is found that the overall network birefringence is dependent only on the mean chain length. Similarly, although the typical degree of extension of the chains upon straining the network differs widely between the species, the network modulus is formally independent of f(S). We investigate scattering from a long labelled chain crosslinked in a network at many randomly-positioned points, and explicitly account for the Poisson distribution of lengths between crosslinks. The scattering function is calculated exactly if the simplification of affine deformation of the junction points is made, and if the junctions are allowed to fluctuate freely, then an approximate solution is possible. The former model (Polydisperse Junction Affine model) agrees much better with the experimental data than the existing theories, both as regards the shape of the Kratky plot and the iso-intensity contours. There remain, however, features of the data which cannot be reproduced by any of the models considered. It is shown by the calculation of limit curves that these differences can only be accounted for by a treatment which goes beyond the idea of phantom chains.

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Section: The Phantom Networkmentioning

confidence: 99%

Polydisperse polymer networks : elasticity, orientational properties, and small angle neutron scattering

Higgs

Ball

1988

J. Phys. France

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“…Recently, molecular dynamics (MD) simulation has been widely applied in many different fields, and has provided information about microscopic pictures of network structure. 26,31,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48] In the present study we use MD simulations to reproduce the swelling/deswelling of a polymer network after preparation. We have already reported that our MD simulation can produce realistic network structure for tetra-PEG gels.…”

Section: Introductionmentioning

confidence: 99%

“…26,31,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48] In the present study we use MD simulations to reproduce the swelling/deswelling of a polymer network after preparation. The Obukhov-Rubinstein-Colby model depicts the influence that swelling/deswelling has on elasticity, but its physical picture is too complicated to be sufficiently validated by experiment.…”

mentioning

confidence: 99%

“…26,31,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48] In the present study we use MD simulations to reproduce the swelling/deswelling of a polymer network after preparation. 26,31,[34][35][36][37][38][39][40][41][42][43][44][45][46][47][48] In the present study we use MD simulations to reproduce the swelling/deswelling of a polymer network after preparation.…”

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confidence: 99%

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Supercoiling transformation of chemical gels

et al. 2015

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The swelling/deswelling behavior of chemical gels has been an unsolved problem disputed over for a long time. The Obukhov-Rubinstein-Colby model depicts the influence that swelling/deswelling has on elasticity, but its physical picture is too complicated to be sufficiently validated by experiment. In this study, we use molecular dynamics simulation to verify the validity of the molecular picture of network strands predicted by the Obukhov-Rubinstein-Colby model. We conclude that the physical picture of the Obukhov-Rubinstein-Colby model is reasonable, and furthermore the simulation can reveal the details of conformational changes in network strands during the supercoiling transformation. Our findings not only reveal the validity, but also give a better understanding of the dynamics of the swelling/deswelling behavior of chemical gels.

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“…The modern theory of real networks now permits a more accurate determination of network structures through use of equations (84), (87), and (95) (187)(188)(189)(190)(191)(192)(193)(194)(195)(196)(197)(198)(199)(200)(201)(202)(203)(204). Stress-strain measurements can be analyzed as shown in Figure 17.…”

Section: Determination Of the Degree Of Cross-linking By Stress-straimentioning

confidence: 99%

Elasticity, Rubber‐like

Queslel

Mark

2001

Encyclopedia of Polymer Science and Technology

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Long, flexible polymer chains with high mobility and weak interchain interactions may be covalently linked together to form network structures. These materials exhibit a unique behavior called rubber‐like elasticity, which is high and reversible deformability (up to 10 times the original dimension). The origin of elasticity at thermodynamic equilibrium is the decrease in entropy of the chains between cross‐linking points resulting from the extension. Elastomers therefore follow thermodynamic laws similar to those for gases. There is a minor intramolecular energetic component in the retractive force which can be extracted from thermoelasticity experiments and is related to conformational energy changes of the chains. Most of the theoretical and experimental works in the field of rubber‐like elasticity have been devoted to the characterization of network structures. Molecular models based on statistical mechanics have been applied to the analysis of equilibrium properties such as stress–strain measurements in uniaxial extension and swelling by a solvent. The real behavior of rubbers is between the predictions of the simple affine and phantom models and is well represented by molecular models which include entanglement constraints. These models associated with topological descriptions of networks are powerful tools to describe network structures.

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Computer simulations of radiation-cured networks

Cited by 30 publications

References 11 publications

Polydisperse polymer networks : elasticity, orientational properties, and small angle neutron scattering

Polydisperse polymer networks : elasticity, orientational properties, and small angle neutron scattering

Supercoiling transformation of chemical gels

Elasticity, Rubber‐like

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