Article
Chemistry, Physical
Yiyang Lin, Kang Liu, Kejun Chen, Yan Xu, Hongmei Li, Junhua Hu, Ying-Rui Lu, Ting-Shan Chan, Xiaoqing Qiu, Junwei Fu, Min Liu
Summary: In this study, external N species, including pyrrolic-N and graphitic-N, were introduced near FeN4 to regulate its charge distribution and improve its ORR activity. Theoretical calculations and experimental results confirmed that the introduction of pyrrolic-N led to enhanced electron redistribution and local electrical field on the Fe site, resulting in positive charge accumulation and improved catalytic performance for ORR. This work provides guidance on enhancing the catalytic performances of single-atom catalysts by introducing charge-redistribution sites.
Review
Chemistry, Physical
Jingwen Li, Weinan Yin, Junan Pan, Yingbo Zhang, Fengshun Wang, Longlu Wang, Qiang Zhao
Summary: Hydrogen is expected to replace traditional fossil energy as a clean, efficient, and sustainable energy source. The external field-assisted hydrogen evolution reaction (HER) has become a new research hotspot, and this article provides a systematic summary of the promoting effects of various external fields on catalytic hydrogen production. It discusses the challenges and future research topics in this field.
Article
Chemistry, Physical
Fei Zhu, Zekai Zhang, Jie Gu, Jinting Xu, Sukum Eitssayeam, Qunjie Xu, PengHui Shi, YuLin Min
Summary: Lithium metal batteries have the potential to be a promising energy storage technology, but the growth of lithium dendrites during battery cycling is a major challenge. This study investigates the effectiveness of a protective layer on the lithium metal surface in inhibiting dendrite growth. The findings suggest that the protective layer can successfully inhibit dendrite formation.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Engineering, Chemical
Qun Zhou, Cai Liang, Jiawei Hu, Xiaoping Chen, Jiliang Ma
Summary: Size-induced particle segregation during the silo filling process greatly changes the electrostatic charge distribution, influencing the occurrence of the incendiary electrostatic discharge. The study found that the enhancement effect of particle segregation on electrostatic discharge is stronger when the volume fraction of small particles is less than 75%.
Article
Chemistry, Multidisciplinary
Anna Sinelnikova, Thomas Mandl, Christofer Ostlin, Oscar Granas, Maxim N. Brodmerkel, Erik G. Marklund, Carl Caleman
Summary: Proteins' dynamics are crucial for their function, but current techniques have limitations in monitoring high-resolution time-resolved dynamics. Combining electric fields with existing techniques may open up a new era for studying gas-phase protein dynamics.
Article
Engineering, Chemical
Qun Zhou, Cai Liang, Jiawei Hu, Xiaoping Chen, Daoyin Liu, Jiliang Ma
Summary: This paper investigates the effect of particle segregation on the non-uniform electrostatic charge distribution in the silo using the DEM method. The study shows that the space charge density in the silo varies with the particles' saturation charges and charging efficiency. Increasing the repose angle and volume fraction of small particles can lead to higher space charge density and risk of electrostatic discharge in the silo.
Article
Physics, Fluids & Plasmas
Alla B. Dobroserdova, Sofia S. Kantorovich
Summary: This study focuses on the self-diffusion of aggregating magnetic particles in bidisperse ferrofluids. The findings show that the presence of small particles leads to an overall increase in the self-diffusion rate of clusters, attributed to changes in cluster size and composition.
Article
Chemistry, Physical
Zhanwen Wang, Michael J. Miksis, Petia M. Vlahovska
Summary: This study investigates the effect of a second boundary on a charged particle in a uniform electric field. It is found that the particle can be attracted or repelled to the boundary depending on the field direction, and the force may vary nonmonotonically with confinement. The results provide insights into the behavior of charged particles in confined systems.
Article
Chemistry, Physical
Zhanwen Wang, Michael J. Miksis, Petia M. Vlahovska
Summary: This study investigates the effect of boundaries on the forces experienced by a charge-free particle in a uniform electric field. The results show that in the case of a normal electric field, the particle is attracted to the nearer boundary, while in the case of a tangential electric field, the particle is repelled by the boundaries.
Article
Astronomy & Astrophysics
Jesus Saenz, Michael Engelhardt, Roman Hoellwieser
Summary: This study uses a Foldy-Wouthuysen transformation to derive the energy shift of a pointlike neutron in an external field, generalizing Foldy's result on dipole electric polarizability in a derivative expansion. It determines the ten leading Foldy contributions to the energy for a zero-momentum neutron and derives analogous results for a zero-velocity neutron by eliminating the momentum operator in favor of the velocity operator, encountering operator ordering ambiguities.
Article
Chemistry, Physical
Xin He, Ben-Xi Zhang, Shuo-Lin Wang, Yi-Feng Wang, Yan-Ru Yang, Xiao-Dong Wang, Duu-Jong Lee
Summary: This study used molecular dynamic simulations to investigate the coalescence dynamics of two charged droplets under three types of electric fields. It found that the contact time is shortest under the DC electric field, followed by the AC and pulsed DC electric fields. The critical field strengths of DC and AC electric fields are the same but lower than that of the pulsed DC electric field.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Yan Sun, Lei Liu, Hongchang Cheng, Zhisheng Lv, Xingyue Zhangyang, Xin Guo
Summary: The internal and external electric fields have significant effects on the photoelectric emission of AlxGa1-xAs nanowires. The Al component in the nanowires can greatly alter the quantum efficiency of the array.
CHEMICAL PHYSICS LETTERS
(2022)
Article
Materials Science, Multidisciplinary
Dongxiang Wang, Zhenhua Hao, Pei Wang, Rulong Ma, Yongchun Shu, Jilin He
Summary: In this study, W-La2O3 spherical powder with uniform distribution of lanthania was successfully prepared, solving the cracking problem of tungsten during additive manufacturing. The obtained powder has smooth surface, narrow particle size distribution, excellent flowability, and high apparent density. Plasma spheroidization resulted in the decrease of lanthania content in the powder, and the spheroidization mechanism of W-La2O3 composite powders was proposed.
INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS
(2023)
Article
Chemistry, Physical
Yunqiu Li, Bin Li, Dan Zhang, Lifeng Xie
Summary: The study found that the structural, energetic, and mechanical properties of energetic composites are influenced by additives, the ratio of CL-20 to HMX, and external electric field. By adjusting and changing these factors, the stability and performance of energetic systems can be effectively improved.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Energy & Fuels
Wenjun Zhou, Ji Yang Tan, Chuanwei Wu, Xudong Zhao, Weixing Zhou, Ling Yang, Zhenjian Jia
Summary: In this study, the combustion efficiency of aviation fuel in an electric field was explored using ReaxFF molecular dynamics and density functional theory calculations. The effects of electric fields of various directions and strengths on electrostatic potential, charge distribution, and molecular structure were analyzed. The reaction kinetics, species, and key reaction energies were studied under different electrostatic fields and temperatures. The analysis revealed changes in molecular charge density and structure, and predicted possible cracking sites. The decomposition rates of cyclohexane and chain alkanes exhibited opposite trends depending on the field strength and temperature, which were further analyzed by reaction pathways and product distribution. The presence of an electric field reduced the decomposition reaction barrier overall, but inhibited molecular motion and decreased molecular potential energy with increasing field strength. This comprehensive analysis provides insights into the effect of an external electric field on RP-1 mixture fuel pyrolysis and offers potential solutions for improving combustion efficiency.
Article
Energy & Fuels
Milos Sarpataky, Juraj Kurimsky, Michal Rajnak, Michal Krbal, Marek Adamcak
Summary: According to the latest research, nanofluids have the potential to enhance the heat transfer and insulation properties of their base fluids, making them a possible future substitution for high-voltage equipment insulation. In this study, natural and synthetic esters were mixed with C-60 nanoparticles and their dielectric performance was tested at different temperatures. The samples were also evaluated for AC breakdown voltage using the Weibull distribution statistical method to determine the optimal concentration for each ester-based nanofluid.
Article
Crystallography
Peter Bury, Marek Vevericik, Frantisek Cernobila, Natalia Tomasovicova, Milan Timko, Peter Kopcansky, Filippo Agresti, Simona Barison
Summary: A composite ferronematic system based on the nematic liquid crystal E7, doped with goethite magnetic nanoparticles, was investigated. The influence of magnetic nanoparticles on structural changes of ferronematic liquid crystals was studied using surface acoustic waves and the magneto-optical effect. The experimental results confirmed the decrease in threshold field and increase in transition temperature with increasing volume fraction of nanoparticles. The effect of nanoparticles' concentration on both total structural changes and magneto-optical behavior was also observed.
Article
Chemistry, Physical
M. Petryk, I. Boyko, J. Fraissard, N. Lebovka
Summary: This paper theoretically considers the non-isothermal adsorption/desorption of gas in a cylindrical column filled with adsorbent particles. The model is based on Langmuir theory for equilibrium adsorption. Using the Heaviside operational method, analytical solutions for the kinetics of changes in the concentration of adsorbate in the inter- and intra-particle spaces were obtained. Numerical calculations were conducted for gas adsorption at different temperatures of the gas flow, followed by desorption by the flow of inert gas through the column. The results revealed complex interrelations between the spatial-temporal dependencies in the distribution of concentrations of adsorbed gas inside the adsorption column and the temperatures of the inlet gas.
ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY
(2023)
Article
Chemistry, Physical
Michal Rajnak, Bystrik Dolnik, Katarina Paulovicova, Roman Cimbala, Peter Kopcansky, Milan Timko, Kinnari Parekh, R. V. Upadhyay
Summary: The low-frequency dielectric response of a ferrofluid based on transformer oil and MnZn ferrite nanoparticles in a gradient magnetic field is studied. The dielectric spectra show a relaxation ascribed to nanoparticle interfacial polarization. The magnetic field causes a decrease in the dielectric permittivity and a shift of the relaxation towards higher frequencies.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Review
Biochemistry & Molecular Biology
Adila Gherabli, Nabil Grimi, Julien Lemaire, Eugene Vorobiev, Nikolai Lebovka
Summary: The freshwater microalga Haematococcus pluvialis is a cell factory for natural astaxanthin, with 4-7% of its total dry weight composed of astaxanthin. The bioaccumulation of astaxanthin in H. pluvialis cysts is a complex process dependent on different stress conditions during cultivation. This review analyzes the various steps in H. pluvialis' processing, including cultivation, biomass harvesting, cell disruption, extraction, and purification techniques. It also collects information on cell structure, biomolecular composition, properties, and the bioactivity of astaxanthin in H. pluvialis, with special emphasis on the recent progress in applying electrotechnologies for growth and biomolecule recovery.
Article
Nanoscience & Nanotechnology
Yuliia Shlapa, Katarina Siposova, Katerina Veltruska, Valentin-Adrian Maraloiu, Ivana Garcarova, Michal Rajnak, Andrey Musatov, Anatolii Belous
Summary: This study reports the synthesis of core/shell nanocomposites based on magnetic magnetite and redox-active cerium dioxide nanoparticles. The nanocomposites demonstrate good stability in aqueous suspensions and retain the ability to heat efficiently in an alternating magnetic field. In addition, the nanocomposites exhibit excellent antioxidant and antiamyloidogenic activities, which make them promising for biomedical applications.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Article
Engineering, Electrical & Electronic
B. Dolnik, L. Sarpataky
Summary: This study examines the performance of medium voltage surge arresters from different manufacturers under various operating conditions, such as surface contamination and damage types, to determine if they meet standardized values. The research analyzes volt-ampere characteristics, Fourier analysis, reference voltage, and active losses to assess the surge arrester's performance.
ELECTRIC POWER SYSTEMS RESEARCH
(2023)
Article
Entomology
Miroslav Banas, Livia Sofrankova, Juraj Kurimsky, Marek Pavlik, Mario Pikalik, Viktoria Majlathova, Roman Cimbala, Natalia Pipova, Liliana Wurfl, Igor Majlath
Summary: Artificial electromagnetic radiation has an impact on animals, and this study investigates the behavior of ticks in response to radio frequency electromagnetic radiation. The results suggest that ticks show varying preferences towards radiation, providing insights into their perception mechanisms.
EXPERIMENTAL AND APPLIED ACAROLOGY
(2023)
Article
Crystallography
Lucia Balejcikova, Kristyna Zolochevska, Natalia Tomasovicova, Anatolii Nagornyi, Oleksandr Tomchuk, Viktor I. Petrenko, Vasil M. Garamus, Laszlo Almasy, Milan Timko, Peter Kopcansky
Summary: Iron-based materials, especially magnetite nanocrystals, have been widely used in various fields. Understanding the interactions between magnetite and biological macromolecules is crucial for the development of applications in medicine.
Article
Materials Science, Multidisciplinary
Peter Havran, Roman Cimbala, Juraj Kurimsky, Michal Rajnak, Bystrak Dolnik, Dusan Medved, Jozef Kiraly
Summary: This study focuses on the dielectric relaxation response of insulating liquids based on mineral oil and synthetic ester in a thermal field. The research also offers the dielectric relaxation response of magnetic nanofluid based on the investigated synthetic ester. The influence of temperature and heating rate on the dielectric parameters and moisture content of the studied fluids are discussed.
JOURNAL OF MATERIALS RESEARCH AND TECHNOLOGY-JMR&T
(2023)
Proceedings Paper
Engineering, Electrical & Electronic
Bystrik Dolnik, Ervin Lumnitzer, Pavol Liptai, Erika Dolnikova, Elena Jurgovska, Lubos Sarpataky
Summary: This article investigates the attenuation of microwaves in the 800 MHz to 6 GHz range on specific parts of the human body. Measurements show that the head, chest, and belly have different levels of attenuation, with the chest absorbing the most and the head absorbing the least. The data obtained can be used to study the impact of microwaves on living organisms and the attenuation of microwaves by human subjects in specific environments.
2023 33RD INTERNATIONAL CONFERENCE RADIOELEKTRONIKA, RADIOELEKTRONIKA
(2023)
Article
Materials Science, Multidisciplinary
Bassam Jameel, Katarina Paulovicova, Jana Tothova, Michal Rajnak, Matus Molcan, Rafal Bielas, Arkadiusz Jozefczak
Summary: A magnetic Pickering emulsion is a stable emulsion that can be controlled by an external magnetic field due to the accumulation of magnetic nanoparticles at the droplet interface. Research in this field focuses on the rheological properties and stability of the emulsion, comparing it with other magnetic fluids. The results show that the application of a magnetic field increases the rigidity and resistance to deformation of the emulsion.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS
(2023)
Article
Chemistry, Physical
Katarina Zakutanska, Dmytro Miakota, Veronika Lackova, Shie-Chang Jeng, Dorota Weglowska, Filippo Agresti, Marketa Jarosova, Peter Kopcansky, Natalia Tomasovicova
Summary: This paper investigates the electromechanical and magnetomechanical memory effects induced by electric and magnetic fields in liquid crystal doped with aerosil nanoparticles. The systems studied exhibit hysteresis in capacitance-voltage and capacitance-magnetic field dependences. The results suggest potential use of this system as voltage-driven or magnetic field-driven non-volatile memory devices.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
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)