Normally, the phase diagram is reported as a property of the binary mixture. We show that the phase diagram (that is, the zones of thermodynamic stability of the states of the binary mixture) is also affected by the size of the container. We investigate the thermodynamic stability of the binary mixture in a closed cavity, and identify the zone in parameters where the binary mixture is heterogeneous in equilibrium (the zone of spinodal decomposition), the zone where the mixture is always homogeneous in equilibrium, and the zone where the transition between these two states is possible (the metastable nucleation zone). In addition, we investigate the properties of the smallest single droplet that may be in equilibrium in the closed cavity (for the given average concentration, all smaller droplets would always dissolve). We show that the size of such droplets depends on the cavity's size, as ∼L^{1/2}.
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http://dx.doi.org/10.1103/PhysRevE.95.022803 | DOI Listing |
Dalton Trans
January 2025
College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi Province, China.
The physical separation of CH from CO on metal-organic frameworks (MOFs) has received a substantial amount of research interest due to its advantages of simplicity, security, and energy efficiency. However, the exploitation of ideal MOF adsorbents for CH/CO separation remains a challenging task due to their similar physical properties and molecular sizes. Herein, we report a unique CH nano-trap constructed using accessible oxygen and nitrogen sites, which exhibits energetic favorability toward CH molecules.
View Article and Find Full Text PDFMater Horiz
January 2025
Institute of Biomedical Engineering, College of Medicine, Southwest Jiaotong University, Chengdu 610031, China.
Sci Total Environ
January 2025
Laboratoire National d'Hydraulique et Environnement (LNHE), Division Recherche et Développement, Electricité de France (EDF), 6 Quai de Watier, 78401 Chatou Cedex 01, France.
This paper aims to test several modeling approaches for predicting toxicity of binary mixtures with potential synergy and antagonism. The approach based on the construction of isoboles was first tested and criticized. In contrast to conventional approaches, and in order to be mathematically consistent with the additivity assumptions, non-linear isoboles have been constructed.
View Article and Find Full Text PDFEnviron Toxicol Chem
January 2025
School of Environmental Science and Engineering, Nanjing University of Information Science and Technology, Nanjing, PR China.
In silico methods are increasingly important in predicting the ecotoxicity of engineered nanomaterials (ENMs), encompassing both individual and mixture toxicity predictions. It is widely recognized that ENMs trigger oxidative stress effects by generating intracellular reactive oxygen species (ROS), serving as a key mechanism in their cytotoxicity studies. However, existing in silico methods still face significant challenges in predicting the oxidative stress effects induced by ENMs.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Centre for Lasers & Photonics, Indian Institute of Technology Kanpur, Kanpur, Uttar Pradesh 208016, India.
Nonideality in a binary solvent mixture is manifested through anomalies in various physical properties like viscosity, dielectric constant, polarity, freezing point, boiling point, and so forth. Sometimes, such anomalies become much more prominent, leading to a synergistic behavior, where the physical property of the mixture is way different from its bulk counterparts. Various alcohols/chlorinated methane binary solvent mixtures show such a synergistic behavior.
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