We study the phase behavior and the interfacial tension of the screened Coulomb (Yukawa) restricted primitive model (YRPM) of oppositely charged hard spheres with diameter sigma using Monte Carlo simulations. We determine the gas-liquid and gas-solid phase transitions using free energy calculations and grand-canonical Monte Carlo simulations for varying inverse Debye screening length kappa. We find that the gas-liquid phase separation is stable for kappasigma
Download full-text PDF
Source
http://dx.doi.org/10.1063/1.2335453 DOI Listing Publication Analysis
Top Keywords
Similar Publications
Temperature-Controlled Gas Hydrate Nucleation in the Heterogeneous Environment.
J Phys Chem Lett
January 2025
Laoshan Laboratory, Qingdao 266237, China.
Nucleation of multicomponent systems is a pervasive phenomenon in nature and is pertinent to a diverse array of scientific and industrial challenges. The nucleation mechanisms of immiscible multicomponent systems remain unclear. Here, gas hydrate is employed as a model system to study the nucleation of multicomponent systems.
View Article and Find Full Text PDFInterface Mechanism of Promoting Low-Rank Coal Flotation by Characteristic Groups in Hydrophilic Moieties of Cationic-Anionic Surfactants.
Langmuir
January 2025
College of Mining Engineering, Taiyuan University of Technology, Taiyuan, Shanxi 030024, China.
Flotation is an interfacial process involving gas, liquid, and solid phases, where polar ionic promoters significantly influence both gas-liquid and solid-liquid interfaces during low-rank coal (LRC) flotation. This study examines how the structures of hydrophilic groups in cation-anion mixed promoters affect the interfacial flotation performance of LRC pulp using flotation tests, surface tension tests, wetting heat tests, and molecular dynamics simulations. Results indicate that cation-anion mixed promoters enhance the LRC floatability to varying degrees.
View Article and Find Full Text PDFDirected Inward Migration of S-Vacancy in BiS QDs for Selective Photocatalytic CO to CHOH.
Adv Sci (Weinh)
January 2025
College of Materials Science and Engineering, National and Local Joint Engineering Research Center for Green Processing, Technology of Agricultural and Forestry Biomass, Central South University of Forestry and Technology, Changsha, 410004, China.
The directional migration of S-vacancy is beneficial to the separation of photogenerated carriers and the transition of electrons in semiconductors. In this study, Bi/BiS@carboxylic-cellulose (CC) photocatalyst with bionic chloroplast structure is obtained by electron beam irradiation to induce S-vacancy in BiS@CC. The results of CO photoreduction experiments demonstrate that the reduction rate of CO to CHOH by Bi/BiS@CC-450 samples is 10.
View Article and Find Full Text PDFMass Transfer-Reaction Modeling of CO Capture Mediated by Immobilized Carbonic Anhydrase Enzyme on Multiscale Supporting Structures.
Environ Sci Technol
January 2025
Zhejiang Key Laboratory of Clean Energy Conversion and Utilization, Science and Education Integration College of Energy and Carbon Neutralization, Zhejiang University of Technology, Hangzhou 310014, China.
Article Synopsis
- Immobilized carbonic anhydrase (CA) enhances CO absorption in potassium carbonate (PC) solutions, presenting a viable alternative to traditional amine-based carbon capture methods.
- The study developed cross-scale models to assess how different enzyme immobilization materials—ranging from nanoparticle to macro-scale carriers—affect CO absorption rates, finding that nanoscale carriers are most effective.
- While increasing enzyme activity can boost absorption rates, diffusion limits, particularly in the liquid phase, impose an upper limit to this enhancement, and smaller particle sizes below 0.35 μm significantly improve performance over benchmark solutions.
Gas-Liquid-Solid Three-Phase Boundary in Scanning Electrochemical Cell Microscopy.
ACS Meas Sci Au
December 2024
Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, United States.
The gas-liquid-solid interface plays a crucial role in various electrochemical energy conversion devices, including fuel cells and electrolyzers. Understanding the effect of gas transfer on the electrochemistry at this three-phase interface is a grand challenge. Scanning electrochemical cell microscopy (SECCM) is an emerging technique for mapping the heterogeneity in electrochemical activity; it also inherently features a three-phase boundary at the nanodroplet cell.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!