Article
Polymer Science
Liyuan Liu, Wenhong Yang, Xinyan Chen, Ying Zhao, Xia Dong, Alejandro J. Mueller, Dujin Wang
Summary: We investigated the epitaxial crystallization of S-nucleated isotactic polypropylene with minor topographic modification at the interface caused by the inclusion of an ethylene comonomer. Experimental results showed that the amount of ethylene comonomer reduced the fraction of S-crystal (KS) due to the decreased S-nucleation ability and growth rate of the S-crystal. Molecular mechanics simulation revealed that the topographic modification weakened the intermolecular interactions, affecting the epitaxial nucleation and growth kinetics. This study provides insights into the control of polymorphism through the design of nucleation and growth interfaces.
Article
Thermodynamics
Pixiang Wang, Yifen Wang, Xueqi Wang, Yucheng Peng, Shaoyang Liu
Summary: The crystallization kinetics of isotactic homopolymer polypropylene (HPP), impact copolymer polypropylene (ICPP), and their composites were investigated. The Avrami-Jeziorny and Mo models accurately described the crystallization process. The nucleation activity and crystallization rate were influenced by the content of ICPP, with the highest rate observed at 60% ICPP. The changes in chain mobility and crystal-crystal interactions accounted for the fluctuations in crystallization rate and activation energy.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Thermodynamics
Jana Navratilova, Lenka Gajzlerova, Lukas Kovar, Roman Cermak
Summary: The study compared high-pressure crystallization and polymorphic composition between long-chain branched polypropylene (LCB-PP) and linear isotactic polypropylene (PP). It found that LCB-PP crystallizes at a higher temperature than PP under low pressure, but the opposite occurs under high pressure. LCB-PP tends to crystallize into orthorhombic gamma-form, while PP does not form pure gamma-form samples.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2021)
Article
Chemistry, Multidisciplinary
Alice Parkes, Ahmad Ziaee, Gavin Walker, Emmet O'Reilly
Summary: This study presents a systematic approach to control the polymorphism of carbamazepine (CBZ) and isolate the metastable polymorph CBZ form IV using spray drying as a continuous method of manufacture, with droplet size as a key factor. The confinement of CBZ molecules within specific-sized spray dried droplets during the nucleation process was investigated to understand its impact on polymorphic outcome.
Article
Polymer Science
Liyuan Liu, Ying Zhao, Chunbo Zhang, Zhiyuan Dong, Kezhi Wang, Dujin Wang
Summary: The research investigated the impact of the morphological characteristics of N,N'-dicyclohexylterephthalamide (DCHT) on the polymorphic composition of isotactic polypropylene (iPP), showing that small-sized DCHT crystals have a greater influence on the formation of beta-crystals.
Article
Polymer Science
Yeyuan Hu, Yang Liao, Yanyan Zheng, Kosuke Ikeda, Ryoji Okabe, Ruifen Wu, Ryota Ozaki, Jun Xu, Qingyan Xu
Summary: The influence of cooling rate on the crystallization behavior of a semi-crystalline polypropylene was studied using the flash differential scanning calorimetry method. The results showed that as the cooling rate increases, the crystallization temperatures and crystallinity decrease.
Article
Chemistry, Multidisciplinary
Sivakumar Sekharan, Xuetao Liu, Zhuocen Yang, Xiang Liu, Li Deng, Shigang Ruan, Yuriy Abramov, GuangXu Sun, Sizhu Li, Tian Zhou, Baime Shi, Qun Zeng, Qiao Zeng, Chao Chang, Yingdi Jin, Xuekun Shi
Summary: This study demonstrates how to quickly select a stable solid form of the antiviral drug remdesivir using MicroED technique and crystal structure prediction platform. The researchers found that form II of remdesivir is more stable than form IV at ambient temperature, which can serve as a template for formulation scientists in the pharmaceutical industry.
Article
Polymer Science
Zhenxing Zhong, Zhaohui Su
Summary: In this study, the crystallization behavior of PB in its blends with iPP and aPP was systematically investigated using various experimental methods. It was found that iPP was more effective in promoting the formation of I' polymorph in the blends, while the cold crystallization rate of PB in the iPP blend with fully crystallized iPP was faster.
Article
Polymer Science
Noelle Billon, Romain Castellani, Jean-Luc Bouvard, Guilhem Rival
Summary: This paper explores the viscoelastic behavior during crystallization and melting of semicrystalline polymers, aiming to propose a preliminary model for the impact of crystallization and melting on the storage and loss moduli. The experimental results suggest that relying solely on the crystalline fraction is insufficient to model the rheology, while considering the microstructure at the spherulitic level could be more helpful. Additionally, the experiments enhance our understanding of the correlations between crystallization kinetics and its mechanical effects.
Article
Materials Science, Composites
Juan Guo, Minghui Liu, Hankun Wang, Yan Yu
Summary: The study found that a concentration of 0.4 wt% TiO2 nanoparticles was most effective in improving the crystallization process of the PP matrix in composites by accelerating the crystallization rate. TiO2 nanoparticles mainly had a significant impact on the crystal growth stage of the PP/BF/nano-TiO2 system.
POLYMER COMPOSITES
(2021)
Article
Polymer Science
Claudio De Rosa, Rocco Di Girolamo, Alessandra Cicolella, Giovanni Talarico, Miriam Scoti
Summary: Epitaxial crystallization can control the crystalline orientation of blocks, while using different crystalline substrates can define the final morphology. The polymer block that crystallizes first on the substrate has a significant impact on the final morphology of the block copolymers.
Article
Polymer Science
Hoorieh Barangizi, Andrzej Pawlak
Summary: This study investigated the crystallization process in a polymer composite with a limited density of macromolecular entanglements for the first time. It was found that if the composite has fewer macromolecular entanglements, the crystallization process proceeds faster or at a higher temperature. The crystallization in the nanocomposite was slowed down by the dispersed nanoparticles of aluminum oxide, hindering the movement of macromolecules to the growing crystals.
Article
Thermodynamics
Malavika Reghunathan Kalathil, R. B. Santoshi, N. Rasana, K. Jayanarayanan
Summary: This study investigates the synergistic effect of multiscale fillers on the kinetics of non-isothermal crystallization of polypropylene reinforced with microscale glass fibres and nanoscale halloysite nanotubes. The results show that the formation of critical nuclei size and stable nuclei is faster in nano- and hybrid composites due to the lower energy barrier. The kinetics of crystallization are best explained by Mo's model for hybrid composites, while Avrami and Ozawa models can explain the initial stages of crystallization. The dependence of effective activation energy on the extent of relative crystallization was explored using the Friedman model for micro-, nano-, and hybrid composites. X-ray diffraction analysis confirms the ability of HNT to induce alpha and beta crystals and the ability of multiscale fillers to reduce crystal sizes without affecting the standard lattice planes of neat polypropylene.
JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY
(2023)
Article
Polymer Science
Federico Di Sacco, Eduardo Solano, Marc Malfois, Jingbo Wang, Markus Gahleitner, Roberto Pantani, Giuseppe Portale
Summary: Understanding the crystallization behavior of isotactic polypropylene during the cast film extrusion process is crucial for achieving desired material performances. Real-time X-ray characterization was performed for the first time ever, providing excellent quality data on the phase crystallinity evolution. Three crystallization zones were observed: an amorphous zone, a frostline zone, and a high-crystallinity zone. The experimental data was matched with simulated data, showing good agreement in terms of crystalline development over the investigated time scale.
Article
Multidisciplinary Sciences
Zhuomin Zhang, Xuemu Li, Zehua Peng, Xiaodong Yan, Shiyuan Liu, Ying Hong, Yao Shan, Xiaote Xu, Lihan Jin, Bingren Liu, Xinyu Zhang, Yu Chai, Shujun Zhang, Alex K. -Y. Jen, Zhengbao Yang
Summary: Piezoelectric biomaterials have gained attention for their potential applications in biological systems. However, their weak effect and challenges in domain alignment limit their practical use. Here, a new strategy using nanoconfinement and in-situ poling is presented, resulting in large-scale, high performance β-glycine nanocrystalline films with enhanced piezoelectric properties. The findings offer a general approach for constructing high-performance piezoelectric bio-organic materials for biomedical devices.
NATURE COMMUNICATIONS
(2023)
Article
Mechanics
E. R. Pierik, W. J. B. Grouve, M. van Drongelen, R. Akkerman
MECHANICS OF TIME-DEPENDENT MATERIALS
(2020)
Article
Polymer Science
Fabio Paolucci, Gerrit W. M. Peters, Leon E. Govaert
JOURNAL OF APPLIED POLYMER SCIENCE
(2020)
Article
Engineering, Manufacturing
S. M. Amin Hosseini, Ismet Baran, Martin van Drongelen, Remko Akkerman
Summary: The study investigates the evolution of substrate and tape temperatures during the laser-assisted tape winding process. It is found that an increase in consolidation pressure and contact length results in higher nip point temperatures of the tape and substrate during consecutive winding.
INTERNATIONAL JOURNAL OF MATERIAL FORMING
(2021)
Article
Materials Science, Composites
Ozan Erartsin, Martin van Drongelen, Leon E. Govaert
Summary: This study demonstrates the presence of a plasticity-controlled failure mechanism in long-term failure of transversely loaded fiber-reinforced thermoplastic composites, which differs from the brittle crack-growth mechanism. Plasticity-controlled failure is characterized by an increase in lifetime, while fatigue crack growth leads to a decrease in lifetime.
JOURNAL OF COMPOSITE MATERIALS
(2021)
Article
Materials Science, Composites
Guillaume A. Vincent, Thomas A. de Bruijn, Sebastiaan Wijskamp, Martin van Drongelen, Remko Akkerman
Summary: A novel recycling solution for thermoplastic composites (TPCs) has been implemented recently. The process and material-induced heterogeneities of the recycled TPCs are similar to those of regular long-fiber thermoplastics (LFTs), including fiber orientation, percolation, variation of fiber fraction, and fiber attrition. This similarity improves confidence in the industrial applications of this recycling route.
JOURNAL OF THERMOPLASTIC COMPOSITE MATERIALS
(2022)
Article
Polymer Science
Nazila Yaghini, Gerrit W. M. Peters
Summary: This paper presents a model of the crystallization kinetics of polyamide 6, including different stages of crystallization and the evolution of the amorphous phase. Parameterized with experimental data, the model shows that the thickness of the rigid amorphous layer plays a crucial role in determining mechanical properties.
Article
Mechanics
F. P. A. van Berlo, R. Cardinaels, G. W. M. Peters, P. D. Anderson
Summary: Filament stretching rheometry is an experimental method for determining rheological properties in extensional flow. This study presents a finite element model to describe flow and stresses, incorporating non-linear viscoelasticity. A modified shear correction factor is proposed for the non-linear viscoelastic flow regime, showing good agreement with simulations for a range of polymers.
Article
Chemistry, Multidisciplinary
Vaidyanath Ramakrishnan, Johannes G. P. Goossens, Theodorus L. Hoeks, Gerrit W. M. Peters
Summary: This paper investigates the terminal viscosity behavior of a polymer melt containing grafted nanosilica particles, revealing that the viscosity of nanocomposites is influenced by the interaction between the polymer matrix and the nanoparticle surface. The study explores the trends in viscosity at different concentrations and suggests that the thickness of the graft layer plays a role in viscosity reduction.
Article
Polymer Science
Robin R. J. Cerpentier, Tim van Vliet, Leonid Pastukhov, Martin van Drongelen, Mark J. Boerakker, Theo A. Tervoort, Leon E. Govaert
Summary: This study investigated the influence of molecular weight distribution on fatigue-crack propagation kinetics in high-density polyethylene homopolymers, finding that the Paris-Erdogan law applies to all grades tested, with a strong correlation between the prefactor A and the weight-average molecular weight.
Article
Polymer Science
M. M. A. Spanjaards, G. W. M. Peters, M. A. Hulsen, P. D. Anderson
Summary: This paper presents an experimental strategy for characterizing the rheological behavior of filled, uncured rubber compounds, using oscillatory shear experiments and a phenomenological thixotropy model. The authors compare kinetic equations for a structure parameter to determine the dynamic thixotropic behavior of the material. They aim to keep the models simple and straightforward for maximum applicability.
Article
Polymer Science
Michelle Spanjaards, Gerrit Peters, Martien Hulsen, Patrick Anderson
Summary: The study focuses on the effect of thixotropy on the extrusion swell behavior of highly filled elastomers, finding that thixotropy generally decreases the swell ratio. Changes in the damage and recovery parameters of the fluid, as well as variations in viscosity within the die, significantly impact the extrudate swell ratio.
Article
Polymer Science
Ozan Erartsin, Ahmad Amiri-Rad, Martin van Drongelen, Leon E. Govaert
Summary: This study investigates the time-dependent failure of UD glass/iPP under off-axis loading and proposes a lifetime prediction method for off-axis failure based on plasticity. The results demonstrate the separability of strain rate and fiber orientation angle on tensile strength, and the plasticity-controlled nature of off-axis failure. The proposed lifetime prediction method shows good agreement with experimental data.
JOURNAL OF APPLIED POLYMER SCIENCE
(2022)
Article
Polymer Science
Harm J. M. Caelers, Anke de Cock, Stan F. S. P. Looijmans, Ralf Kleppinger, Enrico M. Troisi, Martin van Drongelen, Gerrit W. M. Peters
Summary: This article examines the crystallization behavior of propylene-ethylene random copolymers (PPR) and develops an extended model framework to predict crystallization kinetics and final crystallinity. The accuracy of the model is validated through experiments, providing a new tool for PPR systems.
Article
Materials Science, Composites
Guillaume A. Vincent, Thomas A. de Bruijn, Sebastiaan Wijskamp, Mohammed Iqbal Abdul Rasheed, Martin van Drongelen, Remko Akkerman
Summary: This study focused on blending thermoplastic composite scrap material using a low-shear mixer to create molten mixed dough, which is a key step in a novel recycling solution. The research analyzed the effect of mixing parameters and fiber length on the quality of mixing, suggesting that increasing mixing time and speed, along with using shorter fibers, can improve the mixing process. The study provided insights on characterizing mixed dough quality and recommendations for enhancing the recycling solution.
COMPOSITES PART C: OPEN ACCESS
(2021)
Article
Crystallography
Frank P. A. van Berlo, Ruth Cardinaels, Gerrit W. M. Peters, Patrick D. Anderson
Summary: A finite element model is developed to describe flow, stress, and crystallization in a filament stretching extensional rheometer (FiSER). The study shows that crystallization affects rheological behavior and the onset of crystallization during filament stretching is influenced by temperature, strain rate, and sample aspect ratio. Nucleation and structure formation are strongly dependent on these factors.
POLYMER CRYSTALLIZATION
(2021)
Article
Polymer Science
Yuanzhang Jiang, Xuyi Wang, Yanting Han, Dakai Gong, Yingchun Gu, Lin Tan
Summary: In this study, FeCl3 and poly(acrylic acid) (PAA) were doped into waterborne polyurethanes (WPUs) to create multifunctional materials with self-healing and antimicrobial properties. WPU/Fe/PAA-5.5, containing 5.5 wt % PAA, exhibited excellent mechanical properties, strong self-healing capabilities, and an impressive antimicrobial rate of over 90%. These supramolecular films were also highly recyclable through hot-pressing.
Article
Polymer Science
Longyu Tian, Min Wang, Guangming Liao, Baoliang Liu, Sujuan Zhang, Yucheng Sun, Zhen Meng, Jintao Zhang, Zaijun Lu
Summary: Two kinds of benzoxazine monomers were synthesized and used to prepare polybenzoxazine anion exchange membranes (AEMs) with quaternary ammonium functionalization. The LQPBZ AEM exhibited better ion conductivity and alkaline stability.
Article
Polymer Science
Claire A. Lemarchand
Summary: This study investigates the shock behavior of three different polymers through molecular dynamics simulations. The results reveal specificities in the shock behavior of polymers, including deviations from the linear relation between shock velocity and particle velocity, as well as differences in shear stress relaxation behind the shock front. It is found that the deviation of the Hugoniot locus is related to the change in the relative contribution of bonding and non-bonding potential energies, while polymers with higher glass transition temperatures exhibit slower shear stress relaxation.
Article
Polymer Science
Zengquan Liu, Xiaochun Yin, He Zhang, Shuo Gao, Qinglin Kuang, Yanhong Feng
Summary: A powder solid-state extension (PSSE) technology was proposed to address the high melt viscosity issue of UHMWPE. By uniaxial extension and sintering in the solid state, a highly self-reinforced material was prepared. X-ray diffraction and scattering techniques were used to study the structural evolution during the PSSE process, and a solid-phase induced transformation model was established.
Article
Polymer Science
Zhike Li, Anyu Luo, Rui Zhou, Xin Li, Haiyan Li
Summary: A novel high temperature resistance IL@SiO2 nanocapsules were successfully prepared and their friction and wear properties in PA6 composites were studied. The addition of IL@SiO2 nanocapsules reduced the friction coefficient and wear rate without affecting the mechanical properties of PA6. The synergy between the IL core and SiO2 wall in the nanocapsules improved the self-lubricating performance of the PA6 composites.
Article
Polymer Science
Xin Liu, Xuhong Guo, Qi Liao
Summary: In this study, an algorithm for accurately estimating viscosity is developed using molecular dynamics simulations and the Green-Kubo formula. This algorithm can be applied to complex systems with long correlations, such as macromolecular and biological simulation systems.
Article
Polymer Science
Hao Pu, Yun-Lei Hou, Jing -Zhou Chen, Dong -Lin Zhao
Summary: The use of modified graphene improves the interfacial adherence of carbon fibers to epoxy resin, resulting in enhanced interfacial and bending properties of CF and matrix in CF/EP composites, as well as increased interlaminar shear strength and flexural strength.
Article
Polymer Science
Wei-Chung Ke, Jin-Wei Lin, Manohar Reddy Busireddy, Yueh-Hsing Lee, Jiun-Tai Chen, Chain-Shu Hsu
Summary: This study introduces a crosslinkable monomer, TAIC, to synthesize three crosslinked polyimide films, which exhibit improved thermal, mechanical, and dielectric properties. The introduction of TAIC enhances the tensile strength, reduces the dielectric constant and dielectric loss, and decreases the coefficient of thermal expansion of the polyimide films.
Article
Polymer Science
Alex Kwasi Kumi, Ruiling Fan, Ye Chen, Yumei Zhang
Summary: The difference in leaching of amylopectin from cellulose/amylopectin/1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) blends during regeneration in water and aqueous ethanol has been studied. Molecular dynamics simulations showed that the dissolution and regeneration mechanisms of amylopectin in [Bmim][Cl] are similar to cellulose in ionic liquids. Water regeneration leads to weak electrostatic interactions, resulting in high leaching of amylopectin. In contrast, ethanol-water interactions enhance electrostatic interactions among amylopectin chains, limiting amylopectin leaching in aqueous ethanol.
Article
Polymer Science
Xi Zeng, Junwei Zhou, Junbiao Peng, Chunsheng Zhang, Danling Wang, Yihu Song, Qiang Zheng
Summary: This study utilizes an oligomer deep eutectic solvent (DES) based on polyethylene glycol to regulate the vulcanization kinetics of rubber. The results show that the DES can accelerate vulcanization at low temperatures without affecting the crosslinking density and Mullins effect.
Article
Polymer Science
Qianqian Yue, Yongfei Peng, Xingjian Liu, Aihua He, Huarong Nie
Summary: The addition of metal deactivators can effectively suppress the aging of TBIR, prolong its lifespan, and have no negative effects on its physical and processing properties. These research findings are of great importance for improving the stability and aging resistance of polymers.
Article
Polymer Science
J. Gomez-Caturla, J. Ivorra-Martinez, R. Tejada-Oliveros, V Moreno, D. Garcia-Garcia, R. Balart
Summary: This work focuses on the development of environmentally friendly PLA formulations by using different esters derived from geraniol as plasticizers. The results show that these esters have good compatibility with PLA, and they can effectively enhance the elongation and plasticity of PLA, reduce its glass transition temperature, and slightly improve its water absorption capabilities.
Article
Polymer Science
Dandan Li, Zhaohui Lu, Zhao Ke, Ke Xu, Fengna Dai, Youhai Yu, Guangtao Qian, Chunhai Chen
Summary: In this study, cross-linked PI aerogel membranes with low dielectric constant and high moisture resistance were prepared by co-polymerization and scraping coating technology. The incorporation of fluorinated blocks and benzimidazole ring structures resulted in novel PI aerogel membranes with fascinating dielectric properties and outstanding moisture resistance.
Article
Polymer Science
Zhaoyang Chu, Qing Zhang, Haihua Luo, Han Zhou, Fapei Zhang, Wei Chen, Wenhua Zhang
Summary: Multi-physical fields solution processing strategy is a universal and facile method for preparing various conjugated polymer films and high-performance devices. In this study, we employed a combined microfluidic flow and ultrasonication strategy (FU) for processing CP solutions, and found a pronounced synergetic effect in promoting the pre-ordering of chains in solution. The conformation order and anisotropy of the solution were revealed through various characterizations. A non-classical nucleation model for polymer crystallization in non-equilibrium solution processing was confirmed. The roles of microfluidic flow and ultrasonication in chain aggregation and crystallization were addressed through multi-physical simulations. Compared to pristine solutions, the FU strategy showed improved solution anisotropy and crystallization kinetics, resulting in higher crystallinity in films and increased mobilities in OFET devices. The FU processing strategy provides a universal approach for regulating chain conformation and aggregation in conjugated polymer solutions.
