Article
Thermodynamics
Jorge Ahumada Lazo, Ruey-Hung Chen
Summary: Charged droplets, suspended in an electrodynamic balance, undergo Coulombic fission during evaporation. This study observed up to 15 Coulombic fissions in a single droplet, with each fission releasing approximately 14% of the droplet's charge. It was found that droplets with similar initial relative charge sustain fissions at similar normalized diameters, independent of initial droplet size and evaporation rate. Based on the d2-law of pure-fluid droplet evaporation, the times at which Coulombic fissions occur can be predicted for a given initial droplet size and evaporation rate.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2024)
Article
Thermodynamics
Jorge A. Ahumada-Lazo, Ruey-Hung Chen
Summary: The evaporation dynamics of charged, sub-millimeter droplets of short-chain alcohols suspended in air were investigated using an electrodynamic balance. Condensation of water onto the evaporating droplet due to evaporative cooling and the non-ideal mixing of condensed water and alcohol resulted in self-aggregation of the alcohol in two modes: enclosed-phase and Janus. The evaporation behavior of each mode was analyzed for five alcohols over a wide range of ambient relative humidity.(c) 2023 Elsevier Ltd. All rights reserved.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2023)
Article
Engineering, Chemical
Hao Zhou, Pratim Biswas
Summary: Electrospray systems are used to generate submicrometer sized charged droplets containing solute or nanoparticles, which are then transformed into particles. A model for charged droplet drying was developed to predict the final size and charge of particles, considering processes such as solvent evaporation, diffusion, coagulation, and fission. The study investigates the influence of dimensionless parameters on particle size and charge, with an analytical solution obtained for slow drying conditions.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Thermodynamics
Jiameng Tian, Tianyue Zhao, Zhifu Zhou, Bin Chen, Junfeng Wang, Junhui Xiong
Summary: The study found that the electrostatic field can enhance heat and mass transfer through corona wind, counteracting drag force from air to increase the evaporation rate of charged droplets. Increasing voltage shortens droplet lifetime, while an increase in ambient pressure has an inhibitory effect on charged droplet evaporation.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2021)
Article
Chemistry, Physical
Styliani Consta
Summary: The first atomistic simulations reveal the mechanism of Rayleigh fission, where simple ion or macroion ejection occurs through droplet deformation. The study demonstrates that conical deformation is independent of electrohydrodynamic forces and provides insight into the mechanism of capturing macroions in electrospray ionization mass spectrometry experiments and the tolerance of the spectrum to sample salt contamination.
JOURNAL OF PHYSICAL CHEMISTRY B
(2022)
Article
Multidisciplinary Sciences
Fang Wang, Meijin Liu, Cong Liu, Chao Huang, Lidong Zhang, Anyang Cui, Zhigao Hu, Xuemin Du
Summary: Photo-induced charged superamphiphobic surfaces enable flexible and reliable droplet manipulation for droplet robots and bio-applications. The development of a new superamphiphobic material with the capability of photo-induced charge generation provides a novel approach for light control of droplets. The photo-induced charged surface (PICS) allows for controllable droplet motion with high velocity, unlimited distance, and multi-mode motions. This technology has potential applications in various fields, including robotics, biosensing, and biomedical applications.
NATIONAL SCIENCE REVIEW
(2023)
Article
Construction & Building Technology
Xiujie Li, Cheuk Ming Mak, Zhengtao Ai, Kuen Wai Ma, Hai Ming Wong
Summary: This study aims to investigate the transmission mechanism of emitted droplets during dental atomization procedures and propose a risk assessment. Computational fluid dynamics simulation was performed, and experimentally recorded droplet velocity and diameter distribution were used as initial boundary conditions. The results revealed the diameter threshold for droplet deposition and suspension, and the primary contamination distance for the atomization procedures. In general, the cross-infection risk during one of the procedures was higher than the other. The findings of this study can guide efforts to decrease cross-infection risk in dental clinics.
JOURNAL OF BUILDING ENGINEERING
(2023)
Article
Chemistry, Physical
Victor Kwan, Styliani Consta
Summary: The study found differences in the location of different ions within the parent droplet and identified dynamic conical deformations as the determining factor for emitted cluster size distribution. Existing IEM models fail to clearly distinguish between IEM and Rayleigh fission, proposing a shift from equilibrium properties of the parent droplet to the chemistry in conical shape fluctuations.
JOURNAL OF PHYSICAL CHEMISTRY A
(2022)
Article
Construction & Building Technology
Kai Lordly, Leya Kober, Mehdi Jadidi, Sylvie Antoun, Seth B. Dworkin, Ahmet E. Karatas
Summary: This study comprehensively investigates the transmission routes and dynamics of aerosol droplets of SARS-CoV-2 through experiments and numerical simulations. The results show that small particles of aerosol can remain suspended in the air for a long time in a still environment, and ventilation systems can significantly reduce the concentration of aerosols and droplets.
INDOOR AND BUILT ENVIRONMENT
(2022)
Article
Physics, Mathematical
Guido de Philippis, Jonas Hirsch, Giulia Vescovo
Summary: This study investigates the properties of minimizers in a variational model that describes the shape of charged liquid droplets. The model, proposed by Muratov and Novaga, takes into account the regularization effect caused by the screening of free counterions in the droplet. In particular, the study proves partial regularity of the minimizers, which is a first step towards understanding further properties of the minimizers.
COMMUNICATIONS IN MATHEMATICAL PHYSICS
(2023)
Article
Optics
B. Najjari, A. B. Voitkiv
Summary: The study focuses on the process of very large dimers fragmented into two singly charged ions caused by absorption of a photon, with a developed theory applied to calculate the fragmentation of specific dimers. Results show good agreement with experimental data for the helium dimer, while predicting a more efficient fragmentation mechanism for Li-He dimers compared to He-2. The accuracy of the reflection approximation for large dimers is also demonstrated, assuming minor recoil effects.
Article
Engineering, Chemical
Zhiheng Fan, Junfeng Wang, Dongbao Wang, Shuaiquan Lu, Yating Zhang
Summary: This experimental study investigated the generation, Coulomb split, and motion of charged droplets in another immiscible liquid under the action of an electric field. The results showed that increasing the electric field strength is more effective than the liquid flow rate in enlarging the expansion angle of the atomized droplets and the velocity of the discrete phase droplets.
CHEMICAL ENGINEERING SCIENCE
(2021)
Article
Mechanics
Elif Begum Elcioglu, S. M. Sohel Murshed
Summary: This article discusses the applications of microfluidics in the field of nanofluids, and evaluates the printability of ZnO-water nanofluids using a combined theoretical and experimental approach. Experimental results indicate that, under certain conditions, low concentrations of ZnO-water nanofluids can be used for inkjet printing.
Article
Chemistry, Physical
Menglu Li, Nianmin Hong, Jian Jiang, Wenxin Fu
Summary: This study investigated the preparation mechanism of monodispersed hollow silica nanoparticles (HSNs) using a template strategy. It was found that only positively charged polystyrene (PS) templates could induce the deposition of hydrolyzed silicon source and promote the growth of SiO2 shells through the condensation of silanol groups. This research provides detailed insights into the formation process and mechanism of HSNs.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Article
Engineering, Chemical
Ziwen Zuo, Lin Wang, Junfeng Wang, Peng Jiang
Summary: The study shows that the efficiency of particle capture by charged droplets is influenced by electrostatic repulsion between droplets, with droplet spacing having minimal impact on capture efficiency. Increasing droplet charge and reducing droplet velocity both significantly improve capture efficiency, while droplet size has a limited effect on efficiency improvement.
CHEMICAL ENGINEERING & TECHNOLOGY
(2022)
Article
Chemistry, Physical
Sergey Yu. Ketkov, Sheng-Yuan Tzeng, Elena A. Rychagova, Anton N. Lukoyanov, Wen-Bih Tzeng
Summary: Metallocenes, including methylcobaltocene, play important roles in various fields of chemistry. The ionization energy and vibrational structure of (Cp ')(Cp)Co can be influenced by introducing methyl substituents. The mass-analyzed threshold ionization spectrum and DFT calculations provide accurate information about the properties and transformations of (Cp ')(Cp)Co.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Review
Chemistry, Physical
Qifeng Mu, Jian Hu
Summary: Polymer mechanochemistry has experienced a renaissance due to the rapid development of mechanophores and principles governing mechanochemical transduction or material strengthening. It has not only provided fundamental guidelines for converting mechanical energy into chemical output, but also found applications in engineering and smart devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Da Hye Yang, Francesco Ricci, Fredrik L. Nordstrom, Na Li
Summary: Through systematic evaluation of the oiling-out behavior of procaine, we identified both stable and metastable liquid-liquid phase separation, and established phase diagrams to assist in rational selection of crystallization strategies.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Vikki Anand Varma, Simmie Jaglan, Mohd Yasir Khan, Sujin B. Babu
Summary: Designing engineering structures like nanocages, shells, and containers through self-assembly of colloids is a challenging problem. This work proposes a simple model for the subunit, which leads to the formation of monodispersed spherical cages or containers. The model with only one control parameter can be used to design cages with the desired radius.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Hainan Jiang, Yaolong He, Xiaolin Li, Zhiyao Jin, Huijie Yu, Dawei Li
Summary: The cycling lifespan and coulombic efficiency of lithium-ion batteries are crucial for high C-rate applications. The Li-ion concentration plays a crucial role in determining the mechanical integrity and structural stability of electrodes. This study focuses on graphite as the working electrode and establishes an experimental system to investigate the mechanical properties of composite graphite electrode at different C-rates. Considering the effect of Li-ion concentration in stress analysis is found to be significant.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Zhiye Wang, Yunchuan Li, Mingjun Sun
Summary: This study investigates the influence of intramolecular pi-pi interactions on the electronic transport capabilities of molecules. By designing and analyzing three pi-conjugated molecules, the researchers observe that different pi-conjugated structures have varying effects on electron transport. The findings provide a theoretical foundation for designing single-molecule electronic devices with multiple electron channels based on intramolecular pi-pi interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Yuandong Xu, Haoyang Feng, Chaoyang Dong, Yuqing Yang, Meng Zhou, Yajun Wei, Hui Guo, Yaqing Wei, Jishan Su, Yingying Ben, Xia Zhang
Summary: Hollow MoS2 cubes and spheres were successfully synthesized using a one-step hydrothermal method with the hard template method. The hollow MoS2 cubes exhibited higher specific capacitance and energy density compared to the hollow MoS2 spheres. The symmetrical supercapacitors assembled with these hollow structures showed good performance and high capacity retention after multiple cycles. These findings suggest that controlling the pore structure and surface characteristics of MoS2 is crucial for enhancing its electrochemical properties.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Ainhoa Oliden-Sanchez, Rebeca Sola-Llano, Joaquin Perez-Pariente, Luis Gomez-Hortiguela, Virginia Martinez-Martinez
Summary: The combination of photoactive molecules and inorganic structures is important for the development of advanced materials in optics. In this study, bulky dyes were successfully encapsulated in a zeolitic framework, resulting in emission throughout the visible spectrum.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Miaomiao Zhang, Cunyuan Pei, Qiqi Xiang, Lintao Liu, Zhongxu Dai, Huijuan Ma, Shibing Ni
Summary: The design of a solid electrolyte interphase (SEI) plays a crucial role in improving the electrochemical performance of anode materials. In this study, lithium difluoro(oxalate)borate (LiDFOB) is used as an electrolyte additive to form a protective SEI film on Li3VO4 (LVO) anodes. The addition of LiDFOB results in a dense, uniform, stable, and LiF-richer SEI, which enhances the Li-ion storage kinetics. The generated SEI also prevents further decomposition of the electrolyte and maintains the morphology of LVO anodes during charge/discharge processes. This work demonstrates the effectiveness of LiDFOB as a multi-functional additive for LiPF6 electrolytes and provides insights into SEI construction for high-performance LVO anodes.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
B. V. Andryushechkin, T. V. Pavlova, V. M. Shevlyuga
Summary: The atomic structure of the Ag(111)-p(4 x 4)-O phase was reexamined and two phases with the same periodicity were discovered. It was demonstrated that the accepted Ag6 model is incompatible with high-resolution oxygen-sensitive STM images.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
S. L. Romo-Avila, D. Marquez-Ruiz, R. A. Guirado-Lopez
Summary: In this study, we used density functional theory (DFT) calculations to investigate the interaction between model graphene oxide (GO) nanostructures and chlorine monoxide ClO. We aimed to understand the role of this highly oxidizing species in breaking C-C bonds and forming significant holes on GO sheets. Our results showed that C-C bonds in a single graphene oxide sheet can be broken through a simple mechanism involving the dissociation of two chemically attached ClO molecules. The formation of carbonyl groups and holes on the GO surface was also observed. This study provides important insights into the degradation of carbon nanotubes and the stability of GO during the myeloperoxidase (MPO) catalytic cycle.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Alberto Garcia-Fernandez, Birgit Kammlander, Stefania Riva, Hakan Rensmo, Ute B. Cappel
Summary: In this study, the X-ray stability of five different lead halide perovskite compositions (MAPbI3, MAPbCl3, MAPbBr3, FAPbBr3, CsPbBr3) was investigated using photoelectron spectroscopy. Different degradation mechanisms and resistance to X-ray were observed depending on the crystal composition. Overall, perovskite compositions based on the MA+ cation were found to be less stable than those based on FA+ or Cs+. Metallic lead formation was most easily observed in the chloride perovskite, followed by bromide, and very little in MAPbI3. Multiple degradation processes were identified for the bromide compositions, including ion migration, formation of volatile and solid products, as well as metallic lead. CsBr was formed as a solid degradation product on the surface of CsPbBr3.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Timofei Rostilov, Vadim Ziborov, Alexander Dolgoborodov, Mikhail Kuskov
Summary: The shock-loading behavior of nanomaterials is investigated in this study. It is found that shock compaction waves exhibit a distinct two-step structure, with the formation of faster precursor waves that travel ahead of the main compaction waves. The complexity of the shock Hugoniot curve of the tested nanomaterial is described, and the effect of initial porosity on the compressed states is demonstrated.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Sergey S. Nikitin, Alexander D. Koryakov, Elizaveta A. Antipinskaya, Alexey A. Markov, Mikhail V. Patrakeev
Summary: The stability of La1/3Sr2/3Fe1-xMnxO3-delta, a perovskite-type oxide, under reducing conditions is dependent on the manganese content. Increasing the manganese content leads to a decrease in stability. The behavior of iron and manganese in the oxide shows distinct differences, which can be attributed to the difference in the enthalpy of oxidation reactions. Additionally, the change in the La/Sr ratio affects the concentration of iron and manganese ions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)
Article
Chemistry, Physical
Mosayeb Naseri, Shirin Amirian, Mehrdad Faraji, Mohammad Abdur Rashid, Maicon Pierre Lourenco, Venkataraman Thangadurai, D. R. Salahub
Summary: Inspired by the successful transfer of freestanding ultrathin films of SrTiO3 and BiFeO3, this study assessed the structural stability and investigated the electronic, optical, and thermoelectric properties of a group of two-dimensional perovskite-type materials called perovskenes. The findings revealed that these materials are wide bandgap semiconductors with potential application in UV shielding. Moreover, they exhibit better electrical and thermal conductivity at high temperatures, enabling efficient power generation in thermoelectric devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2024)