Article
Chemistry, Physical
Haoyang Sun, Pengyuan Qiu, Yunxin Yang, Junxiao Liu, Libin Zhang, Zhen Liu
Summary: This study investigates the surface structure of bimetallic Pd/Au catalyst and the role of potassium acetate in the synthesis of vinyl acetate (VAc). By constructing different configurations of the Pd/Au (1 1 1) surface and using density functional theory, the research reveals that the presence of potassium ion enhances VAc formation. The configuration of Pd/Au (1 1 1) with two adjacent palladium atoms embedded on the gold surface shows the most favorable outcome for VAc synthesis.
APPLIED SURFACE SCIENCE
(2022)
Article
Polymer Science
Qinghong Zhang, Gongliang Wang, Xinlong Wen, Martin Hoch, Jie Mao, Xinyan Shi
Summary: In this study, APTES was used as a crosslinking monomer to graft onto the modified polymer EVM, forming Si-O-Si networks through moisture crosslinking, which increased the modulus and tensile strength of the samples.
Article
Thermodynamics
Yu Jia, Jun Zhang
Summary: In this study, the thermal conductivity of a series of EVA samples with different VAc contents at different temperatures was measured by the transient hot line method. A empirical formula between the thermal conductivity, temperature, and crystallinity of EVA was established, and the theoretical calculation based on this formula showed a good agreement with the experimental results within a 5% error. This empirical formula provides guidance for predicting the thermal conductivity of EVA samples with different VAc contents at different temperatures in the future.
THERMOCHIMICA ACTA
(2022)
Article
Chemistry, Multidisciplinary
Yue Gu, Linhua Jiang, Weizhun Jin, Zhenhua Wei, Xing Liu, Mingzhi Guo, Kailun Xia, Lei Chen
Summary: This paper investigates the thermal properties and characteristics of a new series of phase change materials composed of capric acid/ethylene-vinyl acetate/graphene. Experimental results show that adding an appropriate amount of graphene can improve the thermal conductivity and latent heat of the composite phase change materials, while excessive graphene can reduce the latent heat.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2021)
Article
Chemistry, Physical
Matteo Lucchini, Benoit Mignolet, Mario Murari, Cayo E. M. Goncalves, Giacinto D. Lucarelli, Fabio Frassetto, Luca Poletto, Francoise Remacle, Mauro Nisoli
Summary: The dissociation of the ethylene cation is a complex process whose exact mechanisms of energy conversion are still not fully understood. By using femtosecond extreme-ultraviolet and infrared pulses for excitation and probing, this study reveals that excitation leads to a thermal ground state in the ethylene cation, resulting in enhanced fragmentation yield. The probing results also provide information about the type of conical intersection involved in the ultrafast excited-state dynamics and nonradiative relaxation.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Chemistry, Physical
Matteo Lucchini, Benoit Mignolet, Mario Murari, Cayo E. M. Goncalves, Giacinto D. Lucarelli, Fabio Frassetto, Luca Poletto, Francoise Remacle, Mauro Nisoli
Summary: The dissociation of the ethylene cation is a complex process with unknown mechanisms. This study uses femtosecond extreme-ultraviolet and infrared pulses to investigate the excited-state dynamics and nonradiative relaxation. The results show that the infrared pulse can excite the cationic ground state to higher excited states, leading to enhanced fragmentation yield.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2022)
Article
Polymer Science
Mariyam J. Ghazali, Xu Ren, Armin Rajabi, Wan Fathul Hakim W. Zamri, Nadia Mohd Mustafah, Jing Ni
Summary: By utilizing the finite element method to study plantar pressure, the research explores the importance of footwear in the treatment and prevention of diabetic foot ulcers.
Article
Energy & Fuels
Grigoriy A. Mun, Timur Bekbassov, Zhomart Beksultanov, Bayana B. Yermukhambetova, Baurzhan Azhgaliyev, Naurizbek Azhgaliyev, Sergey A. Dergunov
Summary: In this study, modified EVA-based copolymers were synthesized using a low energy electron beam, improving the rheological properties and reducing the pour point temperature of the oil. The graft copolymerization mechanism primarily involved hydrogen abstraction from the vinyl acetate units. Oil treated with PPD showed better transportation performance and reduced wax deposition.
JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING
(2022)
Article
Engineering, Electrical & Electronic
Dipika Priyadarsini Jena, Shahid Anwar, R. K. Parida, B. N. Parida, Nimai C. Nayak
Summary: In this study, two-dimensional layered conductive materials (MXene) filled polymer composite structures were prepared using the solution casting technique, showing excellent dielectric properties with high electrical conductivity and low dielectric loss. Additionally, proper dispersion of the filler and synergetic interaction between the matrix and filler contribute to the high dielectric properties of the composite material.
JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS
(2021)
Article
Polymer Science
Nga Thi-Hong Pham
Summary: The study investigated the mechanical properties of LDPE/EVA blends with different EVA-28 content. Results showed that the tensile and flexural strength decreased with increasing EVA-28 content, while hardness decreased. However, adding EVA-28 improved the elongation at break, with the highest value achieved in the blend containing 10% EVA-28.
Article
Engineering, Environmental
Norman T. M. Baltes, Johannes Heumann, Peter M. Rabenecker, Jens Tuebke
Summary: This study presents an environmentally friendly alternative for supercapacitors using vinyl acetate/ethylene modified carbon materials. Initial measurements were obtained in VAE-based supercapacitors filled with KOH or Na2SO4, and the materials and methods used can also be applied to other aqueous capacitors and batteries.
CHEMICAL ENGINEERING JOURNAL
(2023)
Review
Construction & Building Technology
Wentao He, Zifeng Zhao, Jie Yuan, Feipeng Xiao
Summary: This paper summarizes the relevant studies of EVA modified asphalt, indicating its excellent high-temperature performance, poor low-temperature performance, and comparable fatigue performance to SBS modified asphalt under small strain conditions. Factors such as vinyl acetate content, crystalline domains, and melt flow index can affect the performance of EVA modified asphalt.
CONSTRUCTION AND BUILDING MATERIALS
(2023)
Article
Multidisciplinary Sciences
Hiroki Hayashi, Yoshikazu Naiki, Masahiro Murakami, Akihiro Oishi, Rihoko Takeuchi, Masayoshi Nakagawa, Suguru Kimoto, Yoshiaki Hasegawa, Akizumi Araki
Summary: This study evaluated the efficacy of mouthguard cleaner (MC) in cleaning microbial biofilm formation on sports mouthguards. The results showed a significant decrease in bacterial cell counts after treatment with MC, indicating its effectiveness in cleaning biofilms.
Article
Polymer Science
Nevra Ercan, Eylem Korkmaz
Summary: The miscibility of EVA/OBC blends was investigated through melt-state viscoelastic properties and morphological analysis. SEM micrographs showed droplet-matrix morphology, with higher OBC content resulting in larger OBC-dispersed phase domain size. The complex viscosity of the blends deviated from the log-additivity rule, indicating strong phase interaction. Cole-Cole and Han plots indicated miscibility between EVA and OBC. The interfacial tension of the blends was determined using Palierne and Bousmina emulsion models. Creep properties were characterized using a dynamic mechanical analyzer, showing that OBC increased creep strains. Burger and Findley models were used to predict creep behaviors, showing improved creep rate with OBC incorporation.
Article
Polymer Science
Jin Wu, Fude Lu, Jiaxuan Chen, Mingqi Wang
Summary: This study investigated the influence of increased strain rate and the presence of entrapped air on the enhancement of foam material strength, and established a one-dimensional dynamic constitutive model to describe the deformation behavior of EVA foams.
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)