Article
Chemistry, Physical
Xiaoyu Sun, Hongbo Zeng, Tian Tang
Summary: This study used molecular simulations to investigate the adsorption and interactions between polycyclic aromatic compounds (PACs) and non-ionic surfactants at water/oil interfaces. The findings revealed the complex interplay between PAC-surfactant interactions, PAC solubility, and the structure-dependent PAC aggregation. Different non-ionic surfactants were found to have different effects on the adsorption of PACs at the interfaces, with some inducing desorption and others enhancing adsorption. The study also identified how the roles of non-ionic surfactants can be affected by their concentration, as well as the solubility and interfacial behaviors of the PACs.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2021)
Article
Electrochemistry
Atsuki Yamauchi, Kazuo Eda, Toshiyuki Osakai
Summary: In this study, a non-Bornian solvation model was extended to predict the adsorption equilibrium of ionic surfactants at the polarized oil/water interface. The calculation results showed that a cationic surfactant was adsorbed at the nitrobenzene/water interface when the interfacial potential was negative, consistent with previous experimental observations.
Article
Chemistry, Multidisciplinary
Alexandre Poirier, Antonio Stocco, Romain Kapel, Martin In, Laurence Ramos, Amelie Banc
Summary: The study investigated the adsorption process of sunflower protein extract at two air-water and oil-water interfaces, revealing a three-step mechanism. Initially, a diffusion-limited adsorption of proteins at interfaces occurs, followed by the formation of a three-dimensional saturated monolayer of proteins, and finally a thick layer expanding in the aqueous phase. The study also found that the adsorption mechanisms of proteins exhibit significant divergences at longer adsorption times.
Article
Chemistry, Physical
Taniya Kar, Hyeyoung Cho, Abbas Firoozabadi
Summary: This study discusses the mechanisms of low salinity waterflooding and finds that oil recovery is higher from high salinity water injection than from low salinity water injection. There is a strong relationship between interface elasticity and oil recovery, while no definitive correlation is found between oil recovery and wettability.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Applied
Yunyi Yang, Juyang Zhang, Yang Liu, Linhe Wu, Qing Li, Mengyue Xu, Zhili Wan, To Ngai, Xiaoquan Yang
Summary: The study demonstrates that steviol glycosides are highly pH-sensitive, with their emulsifying properties significantly influenced by pH. The adsorption behavior and emulsifying properties depend on the pH value. At low concentrations, STE-SPI complex dominates the adsorption, resulting in enhanced emulsifying ability; at high concentrations, STE preferentially adsorbs, affecting the emulsifying properties.
FOOD HYDROCOLLOIDS
(2022)
Article
Chemistry, Physical
Jule Ma, Zhen Wen, Peiwen Xiao, Pingmei Wang, Jianhui Luo, Xue Han, Shuangliang Zhao
Summary: In this study, the behaviors of polyoxyethylated alcohols non-ionic surfactant at different water/oil interfaces were analyzed using the dissipative particle dynamics (DPD) method. The diffusion coefficient of surfactants was found to be different in water/benzene and water/dodecane systems, with a local maximum value near the critical micelle concentration. This work provides theoretical guidance for the screening and use of surfactants under different external environments.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Review
Chemistry, Physical
Guangle Li, Yi Y. Zuo
Summary: Self-assembly is a versatile bottom-up approach that allows for the fabrication of complex soft materials with desired functionalities by controlling pH, ionic strength, and using external fields at the oil-water interface.
CURRENT OPINION IN COLLOID & INTERFACE SCIENCE
(2022)
Article
Energy & Fuels
Hong-Jia He, Hongyan Xiao, Xu-Long Cao, Fu-Qing Yuan, Xiang-Dong Jiang, Lei Zhang, Lu Zhang, Sui Zhao
Summary: This study investigates the molecular behaviors and properties of extended surfactant at the water/oil interface using molecular dynamics simulation. It proposes a helical shape mechanism for the behavior of long chains at the interface. Experimental results confirm the important role of long chains in adjusting the size of hydrophobic groups and reducing interfacial tension.
Article
Energy & Fuels
Siddhant Kumar Prasad, Jitendra S. Sangwai
Summary: This study investigated the impact of chain length of saturated hydrocarbons on methane hydrate formation and dissociation kinetics in oil-in-water dispersions. Sodium dodecyl sulfate was used as a surfactant to simulate natural surfactants. The results showed that an appropriate concentration of SDS enhanced the hydrate formation during initial stages, but higher concentrations disrupted the structure of local water. With a fixed SDS concentration, higher carbon chain length accelerated the hydrate formation during initial stages before reaching similar formation kinetics. Higher concentrations and higher alkane content delayed the gas release during dissociation.
Article
Chemistry, Applied
Raquel Nunes Fernandes, Andrea Alves Simiqueli, Marcia Cristina Teixeira Ribeiro Vidigal, Valeria Paula Rodrigues Minim, Luis Antonio Minim
Summary: This study investigated the interfacial properties of oil-in-water emulsions containing sugar esters and polysaccharides. The synthesis of sucrose fatty acid esters using immobilized Candida antarctica lipase B, as well as the determination of equilibrium surface tension and interfacial viscoelasticity, were discussed. The presence of polysaccharides was found to increase interfacial tension and promote flocculation of droplets, while all emulsions exhibited excellent stability over 28 days.
Article
Chemistry, Physical
Guangle Li, Xiaojie Xu, Yi Y. Zuo
Summary: Recently, the study of Langmuir-Blodgett (LB) films has been primarily focused on self-assembled monolayers at the air-water surface, with limited research on the oil-water interface. This study introduces a new experimental method called constrained drop surfactometry (CDS) for preparing and characterizing LB films from the oil-water interface.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Food Science & Technology
Yi Wang, Mengyuan Guo, Fazheng Ren, Pengjie Wang, Hongjuan Li, Hongbo Li, Yixuan Li, Jie Luo, Jinghua Yu
Summary: By screening the sources of lipid and homogenization methods, this study altered the composition of the surface proteins on fat globules, resulting in improved stability and biological properties of the prepared emulsions.
FOOD RESEARCH INTERNATIONAL
(2023)
Article
Chemistry, Physical
Di Shi, Zilong Liu, Fan Shao, Xue Li, Xiaoliang Sun, Xiaonan Hou, Yufei Xiao, Yanxiao Hei, Enze Xie, Wenxiu Leng
Summary: This study investigated the self-assembly behavior of anionic surfactants and their influence on the interfacial properties of oil-water using dissipative particle dynamics simulations. The results showed that the morphology of surfactant aggregates changed with concentration and affected the oil-water interface.
APPLIED SURFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Fengjiao Wang, He Xu, Yikun Liu, Yingnan Jiang, Chenyu Wu
Summary: In the water flooding development process of ordinary heavy oil, the fingering phenomenon is obvious and there are a lot of unswept areas, resulting in low recovery. For shallow and thin ordinary heavy oil reservoirs, thermal recovery technology has heat loss and high cost. This paper investigates the mechanism of enhanced oil recovery through polymer flooding in high-porosity and high-permeability heavy oil reservoirs. The results show that the dual low mobility characteristics of polymer flooding can effectively improve the recovery of ordinary heavy oil.
Review
Chemistry, Physical
Cornelia S. Buettner, Alice Cognigni, Christian Schroeder, Katharina Bica-Schroeder
Summary: The combination of water and surface-active ionic liquids provides a unique reaction medium for chemical reactions in bulk water. Ionic liquids act as surfactants in aqueous solutions, resulting in solvent systems with unique properties. The use of surface-active ionic liquids is rapidly growing and has applications across various fields of chemistry.
JOURNAL OF MOLECULAR LIQUIDS
(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)