2016
DOI: 10.1021/acs.jpcc.6b08723
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Evaluation of Nanoparticle Effect on Bubble Nucleation in Polymer Foaming

Abstract: We present a density functional approach to calculate the freeenergy barriers, critical radii, and nucleation rates of bubble nucleation in polystyrene and poly(methyl methacrylate) nanocomposites. In particular, the effects of surface geometry and chemistry of nanoparticles on bubble morphology and cell density have been evaluated with consideration of the local supersaturation of dissolved CO 2 molecules and the local subsaturation of polymer chains. It is shown that addition of SiO 2 or fluorinated SiO 2 pa… Show more

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Cited by 23 publications
(19 citation statements)
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“…The critical bubble radius for our CO 2 PMMA-saturated system is on the order of 3 nm for a saturation pressure of 55 bar (see also eq 10 ). 64 In addition, from high-resolution SEM images, the CO 2 swollen polymer–particle contact angles of bare and PDMS-grafted particles with a silica core of 80 nm were determined to be ∼79 and ∼28°, respectively (see Figure S3 ). The lower contact angle for the 80 nm SiO 2 -PDMS particles compared to that of the bare NPs is ascribed to the high affinity of the grafted NPs to the CO 2 phase, and it explains also the higher nucleation efficiency.…”
Section: Results and Discussionmentioning
confidence: 99%
“…The critical bubble radius for our CO 2 PMMA-saturated system is on the order of 3 nm for a saturation pressure of 55 bar (see also eq 10 ). 64 In addition, from high-resolution SEM images, the CO 2 swollen polymer–particle contact angles of bare and PDMS-grafted particles with a silica core of 80 nm were determined to be ∼79 and ∼28°, respectively (see Figure S3 ). The lower contact angle for the 80 nm SiO 2 -PDMS particles compared to that of the bare NPs is ascribed to the high affinity of the grafted NPs to the CO 2 phase, and it explains also the higher nucleation efficiency.…”
Section: Results and Discussionmentioning
confidence: 99%
“…24,25 The schematic representation and corresponding SEM images of these nano-fillers are shown in Figure 1(a). TPU is a polymer with glass transition temperature of −40 C and softening point of 109 C. 28 The density of TPU is about 1.20 g/cm 3 . The schematic of segmented thermoplastic polyurethane is shown in the Figure S1 of the supporting information showing the aligned hard segment and soft segment.…”
Section: Methodsmentioning
confidence: 99%
“…18,19 Low dimensional nanofiller helps as nucleating agent to initiate heterogeneous nucleation for polymer having lower degree of crystallinity. 28 The higher active area and surface curvature of fullerenol 62 and functionalized graphene are responsible for the controlled orientation of polymer chains which leads to the formation spherulites. Fullerenol incorporated composites did not show any enhancement in tensile strength and modulus but elongation at break was found to increase.…”
Section: Morphology and Its Effect On The Tensile Propertiesmentioning
confidence: 99%
“…Consequently, the resultant PP foam usually To improve the melt strength, considerable efforts have been made to optimize the PP foaming process, enhance PP foam ability as well as improve cellular structure [11,[13][14][15][16][17][18][19][20][21][22][23], such as long-chain branching [24,25], crosslinking [10,20,[26][27][28], polymer blending [11,29], and compounding [30,31]. In recent years, it was found nanoparticles such as graphene, carbon nanotubes, and carbon nanofibers added in PP could provide heterogeneous nucleation sites to increase cell density, minish cell size, improve cell uniformity, and at the same time reinforce the polymeric matrix [11,22,[32][33][34]. But the cost of these nanoparticles are high, making it difficult to use them for the high-volume production of polymer foams [11].…”
Section: Introductionmentioning
confidence: 99%