Article
Thermodynamics
B. B. Kazemian, P. Cheng
Summary: A variable solid-fluid interaction strength scheme compatible with the lattice Boltzmann method is introduced to investigate contact angle hysteresis phenomena numerically. The method is demonstrated to accurately reproduce the observed behaviors during droplet sliding and evaporation processes, and the results are in agreement with previous experimental investigations.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Soil Science
Yuqin Wu, Song Yang
Summary: In this study, a method that combines models of unsaturated soil with contact angle measurement methods is presented. The characteristics of soil contact angle were studied using the sessile drop method (SDM) and the direct observation method (DOB). The results showed significant differences between the CA values measured with SDM and DOB, as SDM measures the CA of a surface while DOB measures the CA between soil particles at a smaller scale.
SOIL & TILLAGE RESEARCH
(2023)
Article
Engineering, Chemical
Shihao Ding, Kang Yu, Qi He, Qinglin Yin, Xin Feng, Yumei Yong, Chao Yang, Yijun Cao, Xiahui Gui, Yaowen Xing
Summary: This study investigated the detachment of bubble-particle aggregates in both tangential and vertical directions using experimental and numerical simulation methods. Results indicate that the stability of bubble-particle aggregates is significantly lower in the tangential direction than in the vertical direction, making them more prone to detachment in the tangential direction during flotation. The detachment process can be divided into three stages: bubble stretching, bubble sliding, and bubble necking.
Article
Thermodynamics
Pouya Sharbati, Abdolali K. Sadaghiani, Ali Kosar
Summary: This study investigates the influence of contact angle (CA) and contact angle hysteresis (CAH) on humid air condensation and reveals their different roles in different stages of the condensation cycle. The findings show that increasing CAH has a negative effect on condensation heat transfer, while the impact of changing CA varies. Lower CAH values have a greater impact on enhancing condensation heat transfer, and increasing CAH has a more significant effect on hydrophobic surfaces than on hydrophilic surfaces. Additionally, decreasing CAH has a more pronounced effect on improving condensation heat transfer than increasing CA.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2024)
Article
Energy & Fuels
Yin Gao, Keliu Wu, Zhangxing Chen, Tong Zhou, Jing Li, Dong Feng, Yanling Gao, Weibing Tian
Summary: This study investigates the impact of wetting hysteresis on fluid flow in shale oil reservoirs by establishing threshold pressure and flow resistance models. The results show that both threshold pressure and flow resistance increase with decreasing pore size, with flow resistance caused by dynamic wetting hysteresis being greater than threshold pressure caused by static wetting hysteresis.
Article
Engineering, Chemical
Facheng Chen, Jiejin Cai, Nikolaos T. Chamakos, Athanasios G. Papathanasiou, Ziqi Gong, Qiong Li
Summary: A liquid-solid interaction-based mesh model is used to analyze droplet evaporation on tilted surfaces, considering factors such as droplet morphology, contact angle hysteresis, evaporative cooling, vapor diffusion, and natural convection. Comparison with experiments confirms the model's accuracy. Tilt angle affects Marangoni flow within the droplet, resulting in significant changes in heat and evaporation fluxes. Adjusting the inclination can control natural convection direction and droplet evaporation pattern, thus influencing the evaporation rate.
CHEMICAL ENGINEERING SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Glen McHale, Nan Gao, Gary G. Wells, Hernan Barrio-Zhang, Rodrigo Ledesma-Aguilar
Summary: This study investigates the friction characteristics of liquid on solid surfaces, defines friction coefficients for droplets and contact lines, and analogizes them with Amontons' laws. By utilizing surface free energy considerations, it is found that the frictional force is directly proportional to the surface tension force. These findings have important implications for the design of superhydrophobic surfaces and the control of droplet motion.
Article
Chemistry, Multidisciplinary
Bisweswar Ghosh, Hadi Belhaj, Huda Alhashmi, Francis Idachaba, Parth Joshi, Md. Motiur Rahman, Mohammed Haroun
Summary: This study presents a quick, easy, and low-cost method to measure the wettability of a reservoir using the adherence tendency of rock particles. The optimum particle size for sustained floatation and balancing the buoyancy and gravity effect is determined. The floating particle method has advantages over established methods and can provide reliable wettability information from drill cuttings and core fragments.
Article
Biology
Thomas Thenard, Anita Catapano, Michel Mesnard, Rachele Allena
Summary: This study analyzed the importance of surface shape for the success of implants and found that surface roughness affects cell behavior, especially migration. Results demonstrate that surface topography impacts cell speed, orientation, and shape, highlighting the importance of roughness dimension on cell motility.
JOURNAL OF THEORETICAL BIOLOGY
(2021)
Article
Engineering, Chemical
Qingjun Du, Peng Zhou, Yuping Pan, Xiao Qu, Lu Liu, Hui Yu, Jian Hou
Summary: Hydrophobicity and roughness of solid surfaces play crucial roles in determining wetting and flow behavior. Increasing roughness can enhance apparent hydrophilicity in some cases, while it may improve apparent hydrophobicity in others. Beyond the superhydrophobic boundary, the effect of roughness on apparent hydrophobicity weakens or disappears.
CHEMICAL ENGINEERING SCIENCE
(2022)
Article
Engineering, Mechanical
Valentin L. Popov, Iakov A. Lyashenko, Jasminka Starcevic
Summary: The classical problem of a capillary neck between a parabolic body and a plane with a small amount of liquid is discussed. The circular shape of the contact area in the state of thermodynamic equilibrium changes due to hysteresis when the bodies are forced to move tangentially. Experimental study shows the shape of sliding capillary contact depends on the roughness of the contacting surfaces.
FACTA UNIVERSITATIS-SERIES MECHANICAL ENGINEERING
(2021)
Review
Chemistry, Physical
Jianxing Sun, Patricia B. Weisensee
Summary: Wetting is crucial for efficient condensation in various applications, but the implementation of dropwise condensation has been limited due to poor durability of coatings and challenges in non-aqueous fluids. Recent advancements include the development of ultra-smooth coatings and lubricant-infused surfaces for both water and non-aqueous fluids, as well as improvements in droplet removal and coating durability through better understanding and design.
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
(2023)
Article
Chemistry, Physical
Yihang Xiao, Jun Zheng, Yongming He, Lei Wang
Summary: Droplet and bubble wetting behaviors have significant differences, and surface roughness affects the wetting behaviors. The study reveals a critical Young contact angle for bubble wetting, above which apparent contact angle and contact angle hysteresis abruptly change. Increased roughness reduces bubble apparent contact angle and contact angle hysteresis.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2022)
Editorial Material
Chemistry, Multidisciplinary
Shuai Li, Hans-Juergen Butt
Summary: Fast removal of water drops from solid surfaces is important in many applications. The reduction in lateral adhesion of water drops on PDMS brush surfaces after exposure to various organic vapors was reported and attributed to the physisorption of vapor and swelling of the PDMS brushes. Contact angles of water drops on three hydrophobic surfaces in different vapors are measured to determine the contribution of vapor adsorption and change in interfacial tensions on drop adhesion. The findings show that vapor-induced change in interfacial tensions can explain the decrease in contact angles, while vapor adsorption into PDMS surfaces forms a lubricating layer, reducing contact angle hysteresis.
ADVANCED MATERIALS
(2023)
Article
Engineering, Electrical & Electronic
Guowei Zhang, Fushou Liu
Summary: This paper presents an equivalent modeling method for modeling the relative rotation of the joint interface in bolt-jointed beam structures. The Valanis model is used to model the relative rotation, considering the shear deformation and rotational inertia of the beam. A finite element method with Timoshenko beam elements is employed for the modeling. The parameters of the Valanis model are determined by fitting hysteresis loops obtained from transient nonlinear analysis. The proposed equivalent modeling method accurately simulates the dynamic response and dissipation of the jointed beam structure with high computational efficiency, with maximum errors of 5.5% and 8.3% for the dynamic response amplitude and energy dissipation.
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)