Article
Polymer Science
Laura Fernandez-Pena, Eduardo Guzman, Francisco Ortega, Lionel Bureau, Fabien Leonforte, Dandara Velasco, Ramon G. Rubio, Gustavo S. Luengo
Summary: This study investigates the interaction of polymer mixtures in solution and their adsorption onto negatively charged surfaces. Experimental results suggest that the formation and composition of interpolymer complexes in solution play a crucial role in governing the deposition and tribological properties of adsorbed layers. The use of SCF calculations further confirms the experimental findings, providing insights into the distribution of polymer chains within the adsorbed layers.
Article
Materials Science, Multidisciplinary
J. Lund, K. S. N. Vikrant, C. M. Bishop, W. Rheinheimer, R. E. Garcia
Summary: A generalized framework incorporating various free energy contributions is presented to describe the Space Charge Layer (SCL) and its effect on transport properties in ionic ceramics. While existing analytical and ideal solution models can capture SCL, they fall short in highly doped systems. In contrast, MDS and VCG models provide more accurate descriptions of concentration-dependent electrical conductivity with smaller cumulative errors.
Article
Polymer Science
Chongrui Zhang, Yinmin Cai, Qiang Zhao
Summary: In this study, a positively charged poly(ionic liquid) with benzene rings in repeating units was designed to form fluidic coacervates when mixed with a like-charge poly(ionic liquid). The effects of polymer concentration, temperature, and ionic strength on the coacervate were investigated, and it was confirmed that the coacervate formation benefited from the cation-pi interaction. This work provides principles and understandings for designing coacervates derived from like-charge poly(ionic liquids) with high charge density.
MACROMOLECULAR RAPID COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Shiqi Zhou, Amin Bakhshandeh
Summary: We utilized classical Density Functional Theory (cDFT) and Monte Carlo simulations to investigate the interaction between heterogeneously charged surfaces in an electrolyte solution. Our study showed consistent behavior between cDFT and Monte Carlo simulations in terms of force curves and two-dimensional density profiles. By using the validated cDFT, we explored the effects of challenging-to-simulate parameters on the system's behavior, including domain size, domain charge, domain charge configuration, and bulk electrolyte concentration. Notably, the force curve was found to be more sensitive to domain size in an asymmetric configuration, while the bulk concentration had a weak influence on the force curve regardless of the system's configurations.
JOURNAL OF CHEMICAL PHYSICS
(2023)
Article
Engineering, Chemical
Dan Hu, Huanhuan Wu, Yanxiang Li
Summary: DMC, HEMA, and MBAA were successfully grafted onto the surface of HPAN ultrafiltration membrane via ceric ion-induced graft polymerization, resulting in membranes with positive surface charges, favorable hydrophilicity, high permeability, and distinguished rejection for positively charged dyes. These membranes exhibited excellent stability in multiple filtration cycles.
SEPARATION AND PURIFICATION TECHNOLOGY
(2021)
Article
Polymer Science
Thi Hai Yen Doan, Tien Duc Pham, Johan Hunziker, Thu Ha Hoang
Summary: In this study, the different desorption concepts of the two polyelectrolytes with similar molecular weights but significantly different charge densities on PSL particles were systematically investigated. For highly charged PTMA5M, desorption continued for 4 hours and re-adsorption proceeded after a longer incubation time, while for lowly charged PTMC5M, an adsorption-desorption equilibrium was observed.
Article
Chemistry, Medicinal
Carles Marti, Sarah Blanck, Ruben Staub, Sophie Loehle, Carine Michel, Stephan N. Steinmann
Summary: DockOnSurf is an open-source Python package designed for automating the generation and optimization of low-energy adsorption configurations of molecules on extended surfaces and nanoparticles, especially focusing on polyfunctional flexible adsorbates. The screening strategy involves splitting the exploration of adsorbate-surface configurational space into chemically meaningful domains to select among different conformers, surface adsorption sites, adsorbate anchoring points, and orientations. Through the program, efficiency, traceability, and ease of use in research within tribology, catalysis, nanoscience, and surface science are prioritized.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2021)
Article
Chemistry, Physical
Yudi Wei, Yihui Dong, Xiaoyan Ji, Faiz Ullah Shah, Aatto Laaksonen, Rong An, Kristina Riehemann
Summary: This study investigates the molecular interaction forces between ionic liquids (ILs) and charged SiO2 microspheres using colloid probe atomic force microscopy (CP-AFM). The results show that the molecular interaction force is influenced by the surface charge and the length of alkyl chains in ILs. These findings provide valuable insights for the development of models and design of ILs-based supercapacitors and battery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Chemistry, Physical
Elton L. Correia, Siddharth Thakur, Aanahita Ervin, Emma Shields, Sepideh Razavi
Summary: Mixed systems of nanoparticles and surfactants have a wide range of applications and their behavior is influenced by various factors such as surface charge, particle's wettability, surfactant solubility, and solution conditions. The previous studies mainly focused on systems with opposite charges, while the behavior of systems with like-charged species remains poorly understood. This study investigates the adsorption of surfactant onto negatively charged particles and provides valuable insights into this complex topic.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Materials Science, Multidisciplinary
Xiao Chang, Xiaofang Li, Qingzhong Xue
Summary: In this study, the sensing mechanism of acetone adsorption on charged II-VI semiconductors was investigated through theoretical calculations. The results showed that surface charge states have significant effects on acetone sensing, with negative charge enhancing sensing on ZnSe surface and both positive and negative charges enhancing sensing on ZnO surface. The appropriate charge states are crucial for fast recovery.
MATERIALS TODAY COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Izaac Sit, Mark A. Young, James D. Kubicki, Vicki H. Grassian
Summary: This study investigates the surface chemistry of nucleotides adsorbed on two different minerals, hematite and goethite, using infrared spectroscopy and density functional theory (DFT) calculations. The results show preferential adsorption of the phosphate group to either surface. The experimental absorption frequencies were compared to DFT calculations, revealing differences in the binding modes of nucleotides to the two mineral surfaces.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Engineering, Electrical & Electronic
Orion Ciftja
Summary: This study aims to investigate the electrostatic energy of interaction between two uniformly charged hemispherical surfaces with constant surface charge density. While exact analytical calculation for arbitrary orientation is difficult, analytical results are possible for scenarios where inherent symmetry is present.
JOURNAL OF ELECTROSTATICS
(2022)
Review
Chemistry, Physical
Richard A. Wilhelm
Summary: The property of variable charge state in ions makes them distinct from other types of radiation that can be exposed to a material surface. This charge exchange between ions and surfaces can transfer energy to the surface and potentially cause material damage. Recent research has focused on understanding ion charge exchange with solids, particularly in the context of slow ions in high charge states. These ions allow for detailed analysis of charge exchange in experiments, which can also investigate electronic processes on a femtosecond timescale. This review discusses general properties of charge exchange, experimental techniques, modeling and simulation of ion-surface interaction, and potential applications based on the understanding of underlying physics.
SURFACE SCIENCE REPORTS
(2022)
Article
Biochemistry & Molecular Biology
Greta Bianchi, Marco Mangiagalli, Alberto Barbiroli, Sonia Longhi, Rita Grandori, Carlo Santambrogio, Stefania Brocca
Summary: This study investigates the effects of charge patterning on the average compactness and shape of three model IDPs with different proline content. The results show that charge clustering induces remodeling of the conformational ensemble, promoting compaction and/or increasing spherical shape. Additionally, the shape and volume of the ensembles depend on other factors such as charge distribution.
Article
Chemistry, Multidisciplinary
Martina Gruening, Jonathan E. Dawson, Christian Voelkner, Sven Neuber, Katja Fricke, Ursula van Rienen, Sylvia Speller, Christiane A. Helm, J. Barbara Nebe
Summary: Through studying the impact of different surface charges on osteoblastic cell behavior, it was found that moderately positive surface charges can enhance actin filament formation, while highly positive surface charges can hinder cell spreading, resulting in a decrease in actin filament number and length. Our findings provide new insights into the influence of surface charges on overall cell shape and intracellular structures.
APPLIED SCIENCES-BASEL
(2021)