4.7 Article

Theory of electrolyte solutions in a slit charged pore: Effects of structural interactions and specific adsorption of ions

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges

Kaihang Shi et al.

Summary: This paper reviews methods for calculating the microscopic pressure tensor and establishes connections between different pressure forms for equilibrium and nonequilibrium systems. It also points out challenges in the field, including historical controversies over the definition of the microscopic pressure tensor, difficulties with many-body and long-range potentials, insufficient software and computational tools, and a lack of experimental routes to probe the pressure tensor at the nanoscale. Possible future directions are suggested.

JOURNAL OF CHEMICAL PHYSICS (2023)

Review Chemistry, Multidisciplinary

Fluids and Electrolytes under Confinement in Single-Digit Nanopores

Narayana R. Aluru et al.

Summary: Confined fluids and electrolyte solutions in nanopores exhibit rich and surprising physics and chemistry that impact the mass transport and energy efficiency in many important natural systems and industrial applications. Exploiting these effects presents myriad opportunities in both basic and applied research that stand to impact a host of new technologies. In this review article, the progress on nanofluidics of single-digit nanopores (SDNs) is summarized, with a focus on the confinement effects. The recent development of precision model systems, transformative experimental tools, and multiscale theories in this field are reviewed.

CHEMICAL REVIEWS (2023)

Article Chemistry, Physical

Noether's second theorem and covariant field theory of mechanical stresses in inhomogeneous ionic liquids

Petr E. Brandyshev et al.

Summary: In this paper, a covariant approach is proposed to derive symmetric stress tensors using Noether's second theorem from the grand thermodynamic potential functional. The approach is applied to various models of inhomogeneous ionic liquids, considering electrostatic correlations or short-range correlations. Analytical expressions for the symmetric stress tensors are derived for the Cahn-Hilliard-like model, Bazant-Storey-Kornyshev model, and Maggs-Podgornik-Blossey model, all of which are consistent with the respective self-consistent field equations.

JOURNAL OF CHEMICAL PHYSICS (2023)

Article Biochemistry & Molecular Biology

Improving the Energy Storage of Supercapattery Devices through Electrolyte Optimization for Mg(NbAgS)x(SO4)y Electrode Materials

Haseebul Hassan et al.

Summary: In this study, the effect of introducing ester co-solvents into ethylene carbonate (EC) as an electrolyte for supercapacitors was investigated. The use of ester co-solvents improved conductivity, electrochemical properties, and stability, leading to enhanced energy storage capacity and durability. A novel electrode material, Mg(NbAgS)(x)(SO4)(y), was synthesized and deposited on a nickel foam substrate, demonstrating high specific capacity and energy density in combination with activated carbon (AC). The supercapattery showed promising performance after 15,000 consecutive cycles, with a Coulombic efficiency of 81% and capacity retention of 78%. The results highlight the potential of using this electrode material in ester-based electrolytes for supercapattery applications.

MOLECULES (2023)

Review Engineering, Environmental

Biomimetic nanofiltration membranes: Critical review of materials, structures, and applications to water purification

Vikrant Sharma et al.

Summary: Emerging contaminants from industrialization have caused a decrease in fresh water resources. Nanofiltration membranes offer efficient separation of contaminants and have potential as a future technology for complex water purification due to scalability, minimal environmental impact, and energy recovery. Biomimetic membranes, inspired by biological cell membranes, aim to overcome the tradeoff between permeability and selectivity. This comprehensive review examines recent advancements in biomimetic membrane materials, their characteristics, and applications in wastewater treatment. Challenges such as replicating the exact cell structure, fouling, and material stability are discussed, along with opportunities for further research. The review concludes that reproducible and easily processable biomimetic materials are necessary for commercial applications.

CHEMICAL ENGINEERING JOURNAL (2022)

Article Mechanics

Modified Poisson-Boltzmann equations and macroscopic forces in inhomogeneous ionic fluids

Yury A. Budkov et al.

Summary: We propose a field-theoretical approach based on thermodynamic perturbation theory to derive the grand thermodynamic potential of inhomogeneous ionic fluid and obtain a modified Poisson-Boltzmann equation and stress tensor. This method is applied to describe different ionic fluid models, and the modified equations and stress tensors obtained are valuable for estimating macroscopic forces and electrostatic potentials in various applications.

JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT (2022)

Review Chemistry, Physical

Porous Electrode Modeling and its Applications to Li-Ion Batteries

Zhiqiang Chen et al.

Summary: This review systematically summarizes and discusses the applications of the porous electrode model to Li-ion batteries (LIBs). The porous electrode model allows for the study of various internal battery properties and can predict battery degradation. With the help of state observers, the porous electrode model enables real-time monitoring for battery management systems.

ADVANCED ENERGY MATERIALS (2022)

Article Physics, Multidisciplinary

Electrosorption-induced deformation of a porous electrode with non-convex pore geometry in electrolyte solutions: A theoretical study

Andrei L. Kolesnikov et al.

Summary: The study focuses on the impact of non-convex pore geometry in CMK-3-like mesoporous material on adsorption-induced deformation and differential capacitance profiles.
Article Chemistry, Physical

Disjoining pressure of room temperature ionic liquid in charged slit carbon nanopore: Molecular dynamics study

Darya Gurina et al.

Summary: In this study, the behavior of an ionic liquid in carbon nanopores of different widths was investigated using molecular dynamics simulations. The results showed that the confined ionic liquid exhibited a layering structure and displayed charge overcompensation and lattice saturation effects.

JOURNAL OF MOLECULAR LIQUIDS (2022)

Article Chemistry, Physical

Theory of Ionic Liquids with Polarizable Ions on a Charged Electrode

Yury A. Budkov et al.

Summary: A general mean-field theory was formulated for a flat electric double layer in ionic liquids and electrolyte solutions with ions possessing static polarizability and a permanent dipole moment on a charged electrode. A new analytical expression for electric double-layer differential capacitance was established, showing new features with an increase in the static polarizability and permanent dipole moment of cations. The study demonstrated the competition between dielectrophoretic attraction and Coulomb repulsion forces affecting the behavior of the differential capacitance in the electric double layer.

JOURNAL OF PHYSICAL CHEMISTRY C (2021)

Article Biochemical Research Methods

SciPy 1.0: fundamental algorithms for scientific computing in Python

Pauli Virtanen et al.

NATURE METHODS (2020)

Article Chemistry, Physical

Continuum Theory of Electrostatic Correlations at Charged Surfaces

J. Pedro de Souza et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Physical

Two-Component Electrolyte Solutions with Dipolar Cations on a Charged Electrode: Theory and Computer Simulations

Yury A. Budkov et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2020)

Article Chemistry, Multidisciplinary

Theory of Surface Forces in Multivalent Electrolytes

Rahul Prasanna Misra et al.

LANGMUIR (2019)

Article Chemistry, Physical

Simple theory for oscillatory charge profile in ionic liquids near a charged wall

A. Ciach

JOURNAL OF MOLECULAR LIQUIDS (2018)

Review Engineering, Chemical

Selectivity of ion exchange membranes: A review

Tao Luo et al.

JOURNAL OF MEMBRANE SCIENCE (2018)

Article Physics, Condensed Matter

The effects of ion adsorption on the potential of zero charge and the differential capacitance of charged aqueous interfaces

Yuki Uematsu et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2018)

Article Electrochemistry

Theory of electrosorption of water from ionic liquids

Yury A. Budkov et al.

ELECTROCHIMICA ACTA (2018)

Article Chemistry, Physical

General theory of charge regulation and surface differential capacitance

Rudolf Podgornik

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Nanoscience & Nanotechnology

In Situ Measurement of Electrosorption-Induced Deformation Reveals the Importance of Micropores in Hierarchical Carbons

Christian Koczwara et al.

ACS APPLIED MATERIALS & INTERFACES (2017)

Article Electrochemistry

Mean-Field Theory of Electrical Double Layer In Ionic Liquids with Account of Short-Range Correlations

Zachary A. H. Goodwin et al.

ELECTROCHIMICA ACTA (2017)

Article Chemistry, Physical

On the theory of electric double layer with explicit account of a polarizable co-solvent

Yu. A. Budkov et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Multidisciplinary

Electrolyte-Mediated Assembly of Charged Nanoparticles

Sumit Kewalramani et al.

ACS CENTRAL SCIENCE (2016)

Article Physics, Multidisciplinary

A modified Poisson-Boltzmann theory: Effects of co-solvent polarizability

Yu. A. Budkov et al.

Article Chemistry, Physical

Water organization between oppositely charged surfaces: Implications for protein sliding along DNA

Amir Marcovitz et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Electrochemistry

Ions and water molecules in an electrolyte solution in contact with charged and dipolar surfaces

Ekaterina Gongadze et al.

ELECTROCHIMICA ACTA (2014)

Article Chemistry, Physical

Perspective: Coulomb fluids-Weak coupling, strong coupling, in between and beyond

Ali Naji et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Dielectric decrement as a source of ion-specific effects

Dan Ben-Yaakov et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Article Chemistry, Physical

Effects of counterion size on the attraction between similarly charged surfaces

Jasna Zelko et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

Double-layer in ionic liquids: Paradigm change?

Alexei A. Kornyshev

JOURNAL OF PHYSICAL CHEMISTRY B (2007)

Article Chemistry, Physical

Electrostatic surface interactions in mixtures of symmetric and asymmetric electrolytes: A Monte Carlo study

Patricia Taboada-Serrano et al.

JOURNAL OF CHEMICAL PHYSICS (2006)