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Propensity of Water Self-Ions at Air(Oil)-Water Interfaces Revealed by Deep Potential Molecular Dynamics with Enhanced Sampling.
Langmuir
January 2025
Center for Combustion Energy, Department of Energy and Power Engineering, and Key Laboratory for Thermal Science and Power Engineering of Ministry of Education, Tsinghua University, Beijing 100084, China.
The preference of water self-ions (hydronium and hydroxide) toward air/oil-water interfaces is one of the hottest topics in water research due to its importance for understanding properties, phenomena, and reactions of interfaces. In this work, we performed enhanced-sampling molecular dynamics simulations based on state-of-the-art neural network potentials with approximate M06-2X accuracy to investigate the propensity of hydronium and hydroxide ions at air/oil(decane)-water interfaces, which can simultaneously describe well the water autoionization process forming these ions, the recombination of ions, and the ionic distribution along the normal distance to the interface by employing a set of appropriate Voronoi collective variables. A stable ionic double-layer distribution is observed near the air-water interface, while the distribution is different at oil-water interfaces, where hydronium tends to be repelled from the interface into the bulk water, whereas hydroxide, with an interfacial stabilization free energy of -0.
View Article and Find Full Text PDFWater impact analysis due to coal-electricity generation using the life cycle assessment method: a case study in Malaysia.
Water Sci Technol
January 2025
Department of Engineering, School of Engineering and Technology, Sunway University, Bandar Sunway, Petaling, Jaya 47500, Malaysia.
Coal power plants adversely impact air pollution, but they also pose a risk to our water sources. Discharge wastewater from power plants may degrade the quality of nearby water bodies. This study evaluates the potential water-related environmental impacts of electricity generation at an ultra-supercritical coal power plant in Malaysia using the life cycle assessment method.
View Article and Find Full Text PDFInvestigating the effect of freezing method, voltage gradient, and probe type on quality characteristics of Turkey meat during the ohmic thawing process.
Heliyon
January 2025
Department of Food Science and Engineering, Faculty of Agriculture, University of Zanjan, Zanjan 45371-38791 Iran.
This research addresses the gap in efficient thawing methods by investigating the effects of ohmic thawing variables and freezing methods on the thawing speed and quality attributes of ground turkey breast, aiming to identify the optimal ohmic thawing method and compare it with traditional air and water thawing techniques. The variables for ohmic thawing consisted of voltage gradient (10, 15, and 20 V/cm), freezing method (Snap (rapid freezing of samples in liquid nitrogen at -210 °C), -70, and -20 °C), and probe type. The results showed that the snap-freezing method demonstrated superior functional and quality characteristics.
View Article and Find Full Text PDFApplication of the modified RIAM method in assessing the environmental impact of municipal solid waste management scenarios (A case study).
Heliyon
January 2025
School of Engineering, Mining Engineering Department, Urmia University, Urmia, Iran.
The rapid impact assessment matrix (RIAM) is a widely utilized tool for evaluating environmental impacts in municipal solid waste management. However, the traditional RIAM (T-RIAM) method includes ambiguities in its scoring classification, which can hinder decision-making accuracy. This study introduces a modified RIAM approach, enhancing classification precision by refining impact categories, making it particularly valuable for projects constrained by time and resources.
View Article and Find Full Text PDFExternal negative pressure improves lung aeration in near-term rabbit kittens at risk of developing respiratory distress.
Front Pediatr
January 2025
The Ritchie Centre, Hudson Institute of Medical Research, Clayton VIC, Australia.
Introduction: As airway liquid is cleared into lung interstitial tissue after birth, the chest wall must expand to accommodate this liquid and the incoming air. We examined the effect of applying external positive and negative pressures to the chest wall on lung aeration in near-term rabbit kittens at risk of developing respiratory distress.
Methods: Rabbit kittens (30 days; term ∼31 days) were randomised into and groups.
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