Investigation at the chain segmental level of the miscibility of poly(vinyl chloride)/atactic poly(methyl methacrylate) blends

Lau, Cheryl; Mi, Yongli

doi:10.1002/polb.1210

Cited by 22 publications

(10 citation statements)

References 29 publications

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“…Note that the peaks of the unlike pairs (PMMA/PVC) are higher than those of the like pairs (PMMA/PMMA, PVC/PVC). According to the assumption proposed by Mattice et al this suggests that the blend systems tend to be miscible, which agree with some experimental observations . Besides, as compared to the cases in the iPMMA/iPVC blend, the peaks of the like pairs in the sPMMA/iPVC blend are lower and those of the unlike pairs are higher.…”

Section: Resultssupporting

confidence: 87%

“…According to the assumption proposed by Mattice et al 2,52 this suggests that the blend systems tend to be miscible, which agree with some experimental observations. [53][54][55][56][57] Besides, as compared to the cases in the iPMMA/iPVC blend, the peaks of the like pairs in the sPMMA/iPVC blend are lower and those of the unlike pairs are higher. As explained in the previous work, 34 these results strongly support the experimental observation that sPMMA is more miscible with iPVC than iPMMA.…”

Section: Journal Of Polymer Sciencementioning

confidence: 99%

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Coarse‐grained molecular dynamics simulations of stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends

2014

J Polym Sci B Polym Phys

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The stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends with a wide formulation range are extensively simulated using the coarse‐grained (CG) molecular dynamics (MD) method. To improve the representability, the bonded CG potentials are re‐parameterized against the atomistic simulated melt systems whereas the nonbonded CG potentials are adopted as developed in our previous work. Based on the CG potentials, the MD simulations reproduce all the local distributions of pure systems and the miscibility of mixed systems. Moreover, the global conformational properties are also closer to the target ones than those obtained using the previous CG potentials. The changes in density and volume upon mixing are computed together with the energies of mixing. They are all negative over the entire composition range and indicate stronger intermolecular interactions between distinct components than those between identical components. In particular, it is found that upon mixing the changes in density are insensible to chain tacticity but the changes in volume and the energies of mixing do, which quantitatively confirms that both inter‐molecular interactions and free‐volumes mainly contribute to the observed phase behaviors. Such models and methods reported herein can be used to quickly optimize formulations of polymer blends. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2015, 53, 203–212

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Section: Resultssupporting

confidence: 87%

Section: Journal Of Polymer Sciencementioning

confidence: 99%

Coarse‐grained molecular dynamics simulations of stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends

2014

J Polym Sci B Polym Phys

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“…All these snapshots in this paper are plotted using the VMD tool. [ 41 ] It can be observed that, throughout the whole composition range, the PMMA/PVC blend exhibits one homogeneous phase where one component well disperses in another component, whereas the PMMA/PS blend undergoes phase separations forming heterogeneous systems, which are in excellent agreements with the experimental observations [ 24,[42][43][44][45][46][47] and the previously simulated results. [ 21,22,48 ] Note that our simulated systems are made According to other authors' works, [ 28,30,31 ] such chain length (i.e., 100 monomers) is long enough to model the realistic chains.…”

Section: Phase Morphologiessupporting

confidence: 86%

Phase Morphologies of Binary Polymer Blends Predicted by Systematically Coarse‐Grained Models

2016

Macro Theory & Simulations

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In this work, the combined iterative Boltzmann inversion/conditional reversible work scheme is extended with a little modifications to derive the systematically coarse-grained (CG) potentials for simulating two typical atactic polymer blends composed of poly(methyl methacrylate) (PMMA) and poly(vinyl chloride) (PVC) or polystyrene (PS). Molecular dynamics simulations are extensively performed on the two blends with a wide formulation range. It is revealed by these simulations that, throughout the entire composition range, the PMMA/ PVC blend is homogeneous whereas the PMMA/PS blend undergoes phase separation, which agrees well with the experimental observation that the former exhibits strong interactions that are absent in the latter. Depending upon the formulation, the immiscible PMMA/PS blend presents one single-or double-continuous phase. It is further confirmed that intermolecular interactions play the key roles in forming the phase morphologies, which in turn can be inferred from only the three nonbonded CG potentials of one unlike pair and two like pairs.

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“…To ascertain the homogeneity of the blends, we investigated the relaxation behavior of protons. For the miscible polymer blends at the molecular level, protons of chemically different chains are closely coupled and relaxed at an identical rate through a spin‐diffusion mechanism; therefore, an examination of the relaxation behavior of protons can provide insight into the homogeneity of the system 21, 35–36. In this work, information about the scale of miscibility and the phase structure was examined with dynamic relaxation experiments through 13 C NMR CP‐MAS.…”

Section: Resultsmentioning

confidence: 99%

Thermal, morphology, and NMR characterizations on phase behavior and miscibility in blends of isotactic polystyrene with poly(cyclohexyl methacrylate)

Chang

Woo

2003

J Polym Sci B Polym Phys

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The miscibility and phase behavior in a binary blend of isotactic polystyrene (iPS) and poly(cyclohexyl methacrylate) (PCHMA) were investigated by differential scanning calorimetry, optical microscopy (OM), and solid‐state 13C cross‐polarity/magic‐angle spinning NMR. The iPS/PCHMA blend was miscible when all compositions showed a single composition‐dependent glass‐transition temperature (Tg) and when the blend went through a thermodynamic phase transition upon heating to above the lower critical solution temperature as determined by OM measurements. The 1H NMR spin‐relaxation times in the laboratory frame (T H1) and in the rotating frame (T H1ρ) for iPS/PCHMA blends with various compositions and neat components were directly measured through solid‐state13C NMR. The results of T H1 indicated that the blends are homogeneous, at least on a scale of 75–85 nm, confirming the miscibility of the system. The single decay and composition‐dependent T H1ρ values for each blend further demonstrated the blends are homogeneous on a scale of 2.5–3.5 nm. The results suggested that iPS and PCHMA are intimately mixed at the molecular level within the blends at all compositions. The tacticity of polystyrene does not seem to adversely influence the miscibility in blends of iPS/PCHMA. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 772–784, 2003

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Investigation at the chain segmental level of the miscibility of poly(vinyl chloride)/atactic poly(methyl methacrylate) blends

Cited by 22 publications

References 29 publications

Coarse‐grained molecular dynamics simulations of stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends

Coarse‐grained molecular dynamics simulations of stereoregular poly(methyl methacrylate)/poly(vinyl chloride) blends

Phase Morphologies of Binary Polymer Blends Predicted by Systematically Coarse‐Grained Models

Thermal, morphology, and NMR characterizations on phase behavior and miscibility in blends of isotactic polystyrene with poly(cyclohexyl methacrylate)

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