Article
Polymer Science
Yuanzhen Xu, Mengru Zhang, Yuanyuan Pang, Tianyue Zheng, Chun Tian, Zhen Wang, Jingling Yan
Summary: Colorless polyimide (CPI) copolymers were synthesized using two-step or one-step methods with different monomers. The copolymers showed increased d-spacing values and decreased intensity of pi-pi stacking interactions with increasing 3,3'-BPDA/TFMB contents. Additionally, the solubility, thermal expansion coefficients, and glass transition temperatures of the copolymers were enhanced with higher 3,3'-BPDA/TFMB contents. These CPI copolymers exhibited excellent optical transparency and solution processability, making them suitable for optical and optoelectronic applications.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Engineering, Chemical
Narayanan Rajagopalan, Claus Erik Weinell, Kim Dam-Johansen, Soren Kiil
Summary: This study investigates the influence of CO2 in the gas phase on the degradation of an amine-cured epoxy novolac coating at high pressure and high temperature conditions. The combination of gas, hydrocarbon, and seawater phases compromises the coating and leads to underfilm corrosion.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
(2021)
Article
Materials Science, Multidisciplinary
Ke Jin, Qiangsheng Sun, Yudi Feng, Jia Guo, Jiangtao Xu, Changchun Wang
Summary: Incorporating alicyclic structural units in a polymer backbone can enhance the solubility and glass transition temperature of polyarylamides. By synthesizing polyarylamides and poly(amide-imide)s with TE-DBCOD, the complex influence of structure parameters on polymer properties was investigated. The synthesized polymers exhibited high thermal stability, providing a new approach for developing polymers with improved solubility and increased T-g.
ACS APPLIED POLYMER MATERIALS
(2021)
Article
Chemistry, Medicinal
Evan R. Antoniuk, Peggy Li, Bhavya Kailkhura, Anna M. Hiszpanski
Summary: In this work, we propose a method that combines a periodic polymer graph representation and a message-passing neural network to tackle the challenges of capturing polymer periodicity and automatically learning polymer descriptors. The approach achieves state-of-the-art performance on multiple polymer property prediction tasks.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2022)
Article
Chemistry, Multidisciplinary
Linh Duy Thai, Thiago R. Guimaraes, Lewis C. Chambers, Jochen A. Kammerer, Dmitri Golberg, Hatice Mutlu, Christopher Barner-Kowollik
Summary: This study investigates the impact of macromolecular architecture on the isomerization efficiency of main-chain-incorporated chromophores in both solution and solid state. It is found that branched architectures deliver the highest isomerization efficiency in the solid state, reaching up to 70% compared to solution. The macromolecular design principles established in this study can serve as a blueprint for enhancing the solid-state isomerization efficiency in other polymer systems.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Applied
Robin Nilsson, Martina Olsson, Gunnar Westman, Aleksandar Matic, Anette Larsson
Summary: This study investigated the effects of side chain structures on the glass transition temperature and water interactions in cellulose esters. The results showed that the glass transition temperature decreased with increased side chain length, and the solubility and penetration of water in the cellulose esters decreased as well.
CARBOHYDRATE POLYMERS
(2022)
Article
Polymer Science
Therese Eriksson, Harish Gudla, Yumehiro Manabe, Tomoki Yoneda, Daniel Friesen, Chao Zhang, Yasuhide Inokuma, Daniel Brandell, Jonas Mindemark
Summary: This study compares the properties of solid polymer electrolytes (SPEs) of three different carbonyl-containing polymers. Experimental measurements and molecular dynamics simulations reveal the influence of the polymer structure on ion transport and the possibility of achieving desired transport properties by fine-tuning the polymer chemistry.
Article
Chemistry, Multidisciplinary
Binqing Zhao, Chenxi Lou, Qi Zhou, Yating Zhu, Wei Li, Mu Jingshan
Summary: The chitosan/bis(2-hydroxyethyl)methyl tallow ammonium modified montmorillonite nanocomposites were synthesized via the phase inversion procedure with the assistance of carbon dioxide. The results showed that the incorporation of CO2 reduced the viscosity of the CS/formic acid solution, while the addition of TCN increased the viscosity. The presence of CO2 enhanced the interaction between TCN and carbamic acid, leading to improved mechanical properties of the nanocomposites.
Article
Pharmacology & Pharmacy
Amit Bhanderi, Fiza Bari, Hisham Al-Obaidi
Summary: This study investigated the impact of incorporating surfactants into amorphous solid dispersions on the solid state miscibility and aqueous solubility of griseofulvin. Different surfactants were used with varying ratios, showing that DTAB surfactant significantly enhanced drug-polymer miscibility. The results suggest a potential role for surfactants in enhancing solid state miscibility when incorporated into solid dispersions.
JOURNAL OF DRUG DELIVERY SCIENCE AND TECHNOLOGY
(2021)
Article
Polymer Science
Peiru Liu, Yongfeng Men
Summary: Temperature-dependent form II to I transition was investigated in low-molar-mass polybutene-1 using fast scanning calorimetry. The crystals formed in the as-crystallized sample had wide distributions of lamellar thickness and intercrystalline link densities, with the well-crystallized form II crystals showing mobility of chain segments even below the glass transition temperature. The transition from form II to form I occurred over a wide temperature range, with form I crystals transformed below the glass transition temperature having higher melting points.
Article
Polymer Science
Daniel S. Honeycutt, William F. Charbonneau, Alexander J. North, Sara L. Cobb, Derek Lohmann, Massoud J. Miri
Summary: Polyesters with furan groups have attracted attention due to the renewability of furan containing monomers. In this study, 11 diols were evaluated in polymerizations with the dimethyl ester of 2,5-furandicarboxylic acid, and 8 of them were found to be novel. The results showed that the glass transition temperatures of these polyesters could be controlled over a wide range by selecting specifically substituted diols.
Article
Materials Science, Ceramics
Aurelien Riot, Francois Virot, Damien Connetable
Summary: This study investigates hydrogen insertion in wurtzite beryllium oxide, aiming to understand the diffusion coefficients of different chemical states of hydrogen. Both first-principle and macroscopic models were employed, and a reliable set of diffusion coefficients for neutral, charged, and molecular hydrogen was obtained.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Materials Science, Ceramics
Jeremie Vasseur, Fabian B. Wadsworth, Yan Lavallee, Donald B. Dingwell
Summary: Glass sintering involves the densification of particle packs and removal of interparticle pore gas. The transition from open to closed system at the percolation threshold leads to deviation from simple diffusional solutions. This transition can be parameterized using the capillary Peclet number, with low Pc indicating diffusive equilibrium before system closure and high Pc indicating a diffusion crisis and longer timescales of disequilibrium.
JOURNAL OF THE AMERICAN CERAMIC SOCIETY
(2023)
Article
Medicine, Research & Experimental
Sumit Mukesh, Prachi Joshi, Arvind K. Bansal, Mahesh Chand Kashyap, Sanjay K. Mandal, Vasant Sathe, Abhay T. Sangamwar
Summary: The study introduced a combined strategy of amorphization and salt formation for celecoxib (CEL), resulting in enhanced solubility, dissolution rate, in vivo pharmacokinetics, and physical stability. The generated amorphous salts solid dispersion (ASSD) formulations of CEL exhibited greatly improved aqueous solubility and in vivo pharmacokinetics, while remaining physically stable for nearly a year under ambient conditions. These results suggest that ASSD is a promising approach for improving the physicochemical properties and biopharmaceutical performance of CEL.
MOLECULAR PHARMACEUTICS
(2021)
Article
Chemistry, Physical
Sergey S. Kharintsev, Sergei G. Kazarian
Summary: Thermally induced phase transitions using light at the nanoscale have significant applications in material science. Enhanced optical heating can be achieved with resonant nanostructures. The operating temperature range of a structured heatsink can be controlled to prevent excess heating.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
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.