Article
Polymer Science
Jeremy L. Swartz, Benjamin R. Elling, Ioannina Castano, Matthew P. Thompson, Daylan T. Sheppard, Nathan C. Gianneschi, William R. Dichtel
Summary: This study introduces a method to enhance the mechanical properties of a miscible blend of thermoplastic polyurethane and polycaprolactone by introducing a copolymer of the two corresponding monomers. The copolymers were generated through a solvent-free, ester/urethane bond-exchange process conducted during the coextrusion of the two polymers. The extrusion conditions affected the extent of bond exchange and the resulting properties of the blend.
Article
Polymer Science
Xiangning Meng, Yingchun Li, Najla AlMasoud, Wensheng Wang, Taghrid S. Alomar, Jie Li, Xinming Ye, Hassan Algadi, Ilwoo Seok, Handong Li, Ben Bin Xu, Na Lu, Zeinhom M. El-Bahy, Zhanhu Guo
Summary: For the first time, styrene-butadiene-glycidyl methacrylate (SBG) was incorporated into the recovered acrylonitrile-butadiene-styrene (rABS) and recycled high impact polystyrene (rHIPS) system by melt blending to increase effectiveness. The epoxy groups in SBG react with the butadiene aging groups in rABS/rHIPS, resulting in the formation of ester groups, which repairs broken molecular chains, improves phase compatibility, and enhances mechanical properties of the blends. Adding SBG significantly improves the molecular weight, impact strength, tensile strength, flexural strength, storage modulus, loss modulus, and complex viscosity of the blends. When SBG content is 8 wt%, the notch impact strength of the blends increases by 108% compared to rABS/rHIPS. Furthermore, the interface between the polybutadiene (PB) phase and styrene-acrylonitrile copolymer (SAN) phase becomes less distinct, improving the compatibility and enabling high-value recovery of rABS/rHIPS.
Article
Chemistry, Physical
Jinghai Li, Elisabetta Colantoni, Ines Temino, Paolo Branchini, Luca Tortora, Marta Mas-Torrent
Summary: Molecular contact doping is an efficient strategy to reduce device contact resistance in organic field-effect transistors (OFETs). However, dopant diffusion poses a challenge to its implementation as it hampers device performance. In this study, OFETs based on C8-BTBT-C8 were fabricated and the performance was significantly improved by inserting a layer of the p-dopant F4TCNQ. The diffusion of the dopant was controlled by blending the OSC with PS of different molecular weights, resulting in enhanced long-term device stability.
CHEMISTRY OF MATERIALS
(2023)
Article
Engineering, Environmental
Ning Sun, Jinhu Wang, Huijian Shi, Xiangxiang Li, Shuqi Guo, Yaoyue Wang, Shaoyang Hu, Rutao Liu, Canzhu Gao
Summary: Through combined experimental and simulation studies, it was found that polystyrene nanoplastics (PS NPs) and benzo[a]pyrene (BaP) exhibit synergistic toxicity in inducing oxidative stress. The cellular reactive oxygen species (ROS) levels were higher under co-exposure of PS NPs and BaP compared to individual exposure. Furthermore, BaP and PS NPs inhibited the decomposition of H2O2 by affecting the structure of the enzyme CAT, exacerbating oxidative stress. This study provides a new perspective and approach for understanding the toxicity of combined pollutants.
JOURNAL OF HAZARDOUS MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Lixin Song, Wei Wang, Dong Chen, Jiannan Ren, Yongchao Li, Bing Yang, Yuanxia Wang, Ying Shi
Summary: Core-shell polybutadiene-graft-polystyrene (PB-g-PS) graft copolymers with different ratios of PB to PS were synthesized by emulsion polymerization. The effects of the copolymer structure and matrix composition on the morphological, mechanical properties, and deformation mechanism of the blends were studied. The results showed that the PB-g-PS copolymer had an excellent toughening efficiency and when blended with PPE and PS, a ternary blend with high toughness and processing properties was obtained. The best toughening effect on the PPE/PS matrix was observed at a core-shell weight ratio of 70/30 in the PB-g-PS copolymer, with an increase in impact strength from 101 to 550 J m(-1). The dispersion pattern of rubber particles in the matrix changed from uniform dispersion to aggregation as the core-shell ratio of PB-g-PS copolymers increased.
MACROMOLECULAR MATERIALS AND ENGINEERING
(2023)
Article
Materials Science, Multidisciplinary
Yongchao Li, Fei Wang, Jiannan Ren, Yongsheng Hao, Lixin Song, Enhan Xing, Wei Wang, Fei Cong, Yuanxia Wang, Ying Shi
Summary: In this study, a core-shell PB-g-PS copolymer was synthesized and added to HIPS rubber particles to toughen PPE/PS blends. It was found that sub-micrometer-sized PB-g-PS core-shell particles and large-sized HIPS rubber particles had an excellent synergistic toughening effect, significantly improving the toughness of the blends. Moreover, the mechanical properties and deformation mechanism of the blends changed with the increase of PPE content.
ACS APPLIED POLYMER MATERIALS
(2022)
Article
Engineering, Chemical
Imane Charif, Naima Doulache, Azeddine Gourari, Denis Rodrigue, Yann Giroux, Rabah Cherfi
Summary: In this study, the physical aging effect of the partially miscible blend of polycarbonate:polystyrene (PC:PS) was investigated at temperatures near the glass transition temperature (T-g) of the PS. The blend was characterized using SEM, FTIR, DSC, and DMA techniques. The results showed that the interaction between the components of the blend was weak, with the 50:50 blend showing the maximum interaction. The aging effect was found to be dependent on temperature and time, affecting the viscoelastic behavior of the blend.
POLYMER ENGINEERING AND SCIENCE
(2022)
Article
Polymer Science
Shen Su
Summary: This study aimed to predict the theoretical miscibility of PBAT/PLA blends at the molecular level. Results showed that under certain conditions, these two polymers exhibit thermodynamic miscibility, indicating the potential for strategic synthesis of PBAT and development of PBAT/PLA blends.
Article
Polymer Science
Karteek K. Bejagam, Carl N. Iverson, Babetta L. Marrone, Ghanshyam Pilania
Summary: Polyhydroxyalkanoates (PHAs) are a class of biomaterials with excellent biocompatibility and biodegradability, which have gained attention as substitutes for petroleum-based plastics. However, the composition and configuration dependence of properties in the vast PHA copolymer chemical space remains largely unexplored.
Article
Energy & Fuels
Ruzhen Cheng, Run Zou, Long He, Lei Liu, Chang Cao, Xinyuan Li, Xuhong Guo, Jun Xu
Summary: In this study, copolymers with different functional groups were synthesized and their effects on preventing asphaltene precipitation were investigated. It was found that the chemical structure of asphaltenes and the concentration and functional groups of polymers significantly affect asphaltene precipitation.
Article
Polymer Science
Arjita Kulshreshtha, Arthi Jayaraman
Summary: In this study, a symmetric blend of two linear polymers containing associating functional groups were investigated, showing similar phase behavior and domain sizes between blends with isotropic and directional interactions. PRISM theory and MD simulations were used to map out the blend phase behavior and obtain microphase domain sizes, revealing important insights into the placement and composition of associating groups on polymer chains.
Article
Energy & Fuels
Mengwei Yu, Cheng Chen, Xi Jiang
Summary: The miscibility of polyoxymethylene dimethyl ethers (OMEn) and diesel blends decreases with the increasing number of oxymethylene units, while aromatics and heteroatomic molecules help maintain the stability. Electrostatic interaction plays a significant role in the liquid-liquid equilibrium of OMEn/diesel blends, with molecules in diesel having strong electrostatic interaction prone to accumulate around OMEn.
Article
Polymer Science
Ildar I. Salakhov, Nadim M. Shaidullin, Anatoly E. Chalykh, Mikhail A. Matsko, Alexey V. Shapagin, Ayrat Z. Batyrshin, Georgiy A. Shandryuk, Ilya E. Nifant'ev
Summary: The low-temperature properties of HDPE, LDPE, LLDPE, and their blends were studied, with parameters such as relative elongation at break and Izod impact strength used for assessing frost resistance properties. LLDPE showed higher elongation at break and impact strength compared to LDPE, and the addition of LLDPE terpolymer to HDPE improved flow properties and tensile properties of the blend at -45 degrees C. Changes in low-temperature properties as a function of molecular weight, crystallinity, and branch content were determined for HDPE, LLDPE, and their blends, with DMA data proving the resulting dependences.
Article
Engineering, Environmental
Wei Lv, Mingzhe Dong, Hemanta Sarma, Yajun Li, Zijin Li, Junteng Sun, Houjian Gong
Summary: This study investigated the effects of nonionic polyether surfactants on improving the miscibility of CO2-hydrocarbon systems through experiments and molecular dynamics simulations. The results showed that adding polyethers with different structures could reduce the miscibility pressure between CO2 and hydrocarbons. The capability of polyethers to improve oil-gas miscibility depended on the polyoxypropylene chain length and alkyl chain length. The molecular dynamics simulations revealed the mechanism of how polyethers enhanced the oil-gas miscibility.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Polymer Science
Emese Pregi, Imre Romsics, Robert Vardai, Bela Pukanszky
Summary: Poly(butylene adipate-co-terephthalate) (PBAT) was added to poly(lactic acid) (PLA)/lignin blends to improve their stiffness and brittleness. The interactions between the components were investigated through solubility parameters and thermal analysis. Mechanical properties and blend structure were characterized. The results showed that the interactions between PBAT and lignin were stronger than those between PLA and the other components. The addition of lignin deteriorated the properties of the blends, and further improvements are needed for compatibility and blend properties.
Article
Chemistry, Multidisciplinary
Yike Yao, Liang Gao, Chunhua Cai, Jiaping Lin, Shaoliang Lin
Summary: Introducing a second component is an effective way to manipulate polymerization behavior. However, this phenomenon has rarely been observed in colloidal systems, such as polymeric nanoparticles. Here, we report the supramolecular polymerization of polymeric nanorods mediated by block copolymers. Experimental observations and simulation results illustrate that block copolymers surround the polymeric nanorods and mainly concentrate around the two ends, leaving the hydrophobic side regions exposed. These polymeric nanorods connect in a side-by-side manner through hydrophobic interactions to form bundles. As polymerization progresses, the block copolymers gradually deposit onto the bundles and finally assemble into helical nanopatterns on the outermost surface, which terminates the polymerization. It is anticipated that this work could offer inspiration for a general strategy of controllable supramolecular polymerization.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Chengyan Zhang, Liang Gao, Jiaping Lin, Liquan Wang
Summary: Precise control of size and dimension is crucial for constructing complex hierarchical nanostructures. Brownian dynamics simulations revealed that 2D-1D hybrid micelles can be formed via liquid-crystallization-driven self-assembly. The structural transition of the micelle core and the sequential generation of cylindrical arms provide explanations to some unaddressed issues in experiments. The hybrid micelles also exhibit high surface area and distinctive suspension behaviors, making them a good stabilizer.
Article
Chemistry, Physical
Shuting Gong, Tianyi Wang, Jiaping Lin, Liquan Wang
Summary: Polymers can be attached to nanoparticles either dynamically or permanently, resulting in polymer-functionalized nanoparticles. The mobility of polymer brushes anchored to nanoparticles can affect surface patterns, but the impact is unclear. This study used self-consistent field theory calculations to investigate the influence of lateral polymer mobility on surface patterning. The results demonstrated that the fraction of mobile brushes significantly influences the surface patterning of polymer-functionalized nanoparticles. This work provides a fundamental understanding of the dependence of surface patterning on lateral polymer mobility.
Article
Nanoscience & Nanotechnology
Pengtu Zhang, Xiaoyun Liu, Peiyuan Zuo, Puke Mi, Qixin Zhuang
Summary: By incorporating p-phenylenediamine-modified and L-ascorbic acid-reduced graphene oxide nanosheets into the polymer matrix, a composite material with significantly improved chemical functionalization and dispersity was obtained. The composite material has a high dielectric constant and breakdown strength, making it suitable for high-dielectric applications.
ACS APPLIED NANO MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Yanli Zhao, Xinfeng Tao, Jiaping Lin, Shaoliang Lin
Summary: A simple and robust template-free solvothermal strategy is reported to obtain azobenzene-dangled COFs. The crystallinity, specific surface area, and morphology of Azo-COFs can be controlled by changing the ratio of amine to aldehyde monomers. The reversible trans-to-cis isomerization of the dangled azobenzene units inside the pores allows for intelligent regulation of surface wettability and enhanced adsorption capacity.
ADVANCED FUNCTIONAL MATERIALS
(2023)
Article
Polymer Science
Yutong Tang, Tianyun Cai, Jiaping Lin, Liangshun Zhang
Summary: By regulating the coassembly pathways, the orientation-dependent assembly of nanorods can be achieved in block copolymer nanocomposites, leading to defect-free nanostructures. The preferred orientation of nanorods can be finely tuned by thermodynamic variables, and end-to-end aligned nanorods can enhance the mechanical strength of nanostructured composites.
Article
Engineering, Chemical
Qi Ma, Xiaoyun Liu, Jun Qian, Qixin Zhuang
Summary: Recently, the development of high-selectivity porous materials, such as covalent organic frameworks (COFs), for sewage purification and rapid adsorption of heavy metals has attracted much attention. In this study, two novel COFs, DAA-TFPT-COF and PDA-TFPT-COF, containing triazine and carboxyl bifunctional groups, were developed. These COFs exhibited high specific surface areas and good metal ion adsorption properties, even in both acidic and alkaline environments, surpassing ordinary adsorption materials. The adsorption process within the COFs was confirmed to follow the Langmuir adsorption model and pseudo-second-order kinetic model. The electrostatic interactions and active affinity sites were identified as crucial factors in the strong adsorption effect of COFs, especially for DAA-TFPT-COF, which showed high partition coefficient and fast adsorption kinetics, making it an excellent candidate for metal ion adsorption.
SEPARATION AND PURIFICATION TECHNOLOGY
(2023)
Article
Polymer Science
Boyu Zhang, Jiaping Lin, Lei Du, Liangshun Zhang
Summary: In this study, the molecular transformer model is integrated with data augmentation and normalization preprocessing strategies to accomplish three tasks in chemical reactions. The results demonstrate that the prediction accuracy of the molecular transformer model can be significantly improved with the proposed strategies.
Article
Materials Science, Multidisciplinary
Yunyao Zhang, Xiaoyun Liu, Rui Yang, Qixin Zhuang
Summary: High-temperature-resistant benzoxazines have become a research hotspot in the aviation and aerospace field. The development of benzoxazines with high thermal stability and good processability is challenging, but this study proposes an effective method to achieve it. Different benzoxazines were analyzed and screened based on their heat resistance, processability, and curing performance. The method involves high-throughput design, property prediction, and computer-aided screening, and it can promote the research of high-performance thermosetting polymer materials with higher efficiency and lower cost compared to traditional trial-and-error approaches.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Chemistry, Physical
Chuanhao Tang, Wenjun Ma, Peng He, Yukang Zhou, Xiaoyun Liu, Peiyuan Zuo, Qixin Zhuang
Summary: Pyrolytic Prussian blue analogs (PBAs) combined with an amorphous carbon layer provide optimized microwave absorption (MA) performance through the formation of a yolk-shell structure. The amorphous carbon layer prevents collapse of PBAs and optimizes impedance matching. Experimental results and simulations show impressive MA properties, indicating that hierarchical and quantitative design can maximize MA capability.
Article
Nanoscience & Nanotechnology
Xinyao Ni, Jingyu Lin, You Yuan, Xinhua Wang, Peiyuan Zuo, Xiaoyun Liu, Qixin Zhuang
Summary: The development of high-performance antiferroelectric ceramics/polymeric materials with great thermal stability has attracted considerable interest due to their extensive use in efficient power sources and electronic devices. However, the poor processibility and weakened breakdown strength of dielectrics seriously restrict their high energy storage density and thermal stability. To overcome these challenges, the use of an organically modified high-aspect-ratio one-dimensional antiferroelectric ceramic is suggested, which can extend the breakdown path and improve the local electric field distribution, thus yielding high energy storage density.
ACS APPLIED NANO MATERIALS
(2023)
Article
Nanoscience & Nanotechnology
Jiangyu Fang, Jian Xu, Xiaoyun Liu, Peiyuan Zuo, Zhong-Kai Cui, Qixin Zhuang
Summary: A three-phase composite aerogel interconnecting MXene, Ag nanowire, and carbon nanotube was prepared by freeze-drying, exhibiting high conductivity, excellent electromagnetic interference shielding performance, and enhanced compressive strength. This composite aerogel holds promise for applications in high-strength electromagnetic shielding materials.
ACS APPLIED NANO MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Xinhua Wang, Xinyao Ni, You Yuan, Jun Qian, Peiyuan Zuo, Xiaoyun Liu, Qixin Zhuang
Summary: This study proposes an innovative approach to reconstruct polymer chain structure by introducing a group with high temperature resistance, aiming to solve the failure issue in high-temperature applications. The method improves the energy storage performance of the polymer and shows potential for industrial applications.
ACS APPLIED POLYMER MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Zhe Zhang, Peng He, Wenjun Ma, Peiyuan Zuo, Xiaoyun Liu, Qixin Zhuang
Summary: A novel and controllable selective etching strategy was reported to fabricate yolk-multishell mesoporous silica nanoparticles with high pore volume, low specific surface area, uniform diameter, and excellent monodispersity. The obtained nanocomposite films exhibited ultralow dielectric constant and maintained great stability over a wide temperature range.
JOURNAL OF MATERIALS CHEMISTRY C
(2023)
Article
Chemistry, Physical
Xinyao Xu, Wenlin Zhao, Yaxi Hu, Liquan Wang, Jiaping Lin, Huimin Qi, Lei Du
Summary: Traditional material design principles for thermosetting polymers are inefficient due to conflicting properties. Machine learning combined with limited experimental data and all-atomic simulations can establish robust property estimation models. Virtual candidates are screened and promising polycyanurates are identified through well-trained ML models, verified by theoretical simulations and proof-of-concept experiments. The proposed framework can accelerate the rational design of polymers and reveal underlying physical rules.
JOURNAL OF MATERIALS CHEMISTRY A
(2023)
