Cargando…

Reactive Grand-Canonical Monte Carlo Simulations for Modeling Hydration of MgCl(2)

[Image: see text] Thermochemical heat-storage applications, based on the reversible endo-/exothermic hydration reaction of salts, are intensively investigated to search for compact heat-storage devices. To achieve a truly valuable storage system, progressively complex salts are investigated. For the...

Descripción completa

Detalles Bibliográficos
Autores principales:	Heijmans, Koen, Tranca, Ionut C., Chang, Ming-Wen, Vlugt, Thijs J. H., Gaastra-Nedea, Silvia V., Smeulders, David M. J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8655925/ https://www.ncbi.nlm.nih.gov/pubmed/34901597 http://dx.doi.org/10.1021/acsomega.1c03909

Ejemplares similares

Gibbs Ensemble Monte Carlo for Reactive Force Fields to Determine the Vapor–Liquid Equilibrium of CO(2) and H(2)O
por: Heijmans, Koen, et al.
Publicado: (2020)

First-Principles Study of Chemical Mixtures of CaCl(2) and MgCl(2) Hydrates for Optimized Seasonal Heat Storage
por: Pathak, A. D., et al.
Publicado: (2017)

Durability of concretes exposed to high concentrations of CaCl(2) and MgCl(2)
por: Hosseinzadeh, Nima, et al.
Publicado: (2022)

Effect of EtOH/MgCl(2) Molar Ratios on the Catalytic Properties of MgCl(2)-SiO(2)/TiCl(4) Ziegler-Natta Catalyst for Ethylene Polymerization
por: Patthamasang, Supanan, et al.
Publicado: (2011)

High-pressure X-ray diffraction, Raman, and computational studies of MgCl(2) up to 1 Mbar: Extensive pressure stability of the β-MgCl(2) layered structure
por: Stavrou, Elissaios, et al.
Publicado: (2016)

Effect of MgCl(2) Loading on the Yield and Performance of Cabbage-Based Biochar
por: Zhu, Cui, et al.
Publicado: (2023)

Crystal structure of [tBuMgCl](2)[MgCl(2)(Et(2)O)(2)](2)
por: Metzler, Maurice, et al.
Publicado: (2023)

Comparison of the reaction of bone-derived cells to enhanced MgCl(2)-salt concentrations
por: Burmester, Anna, et al.
Publicado: (2014)

Dataset of energetically accessible structures of MgCl(2)/TiCl(4) clusters for Ziegler-Natta catalysts
por: Takasao, Gentoku, et al.
Publicado: (2020)

Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo
por: Ross, Gregory A., et al.
Publicado: (2017)

Thermodynamic Description of Dilution and Dissolution Processes in the MgCl(2)−CsCl−H(2)O Ternary System
por: Baranauskaite, Valeriia, et al.
Publicado: (2021)

Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
por: Melling, Oliver J., et al.
Publicado: (2023)

Monte-Carlo : Le Grand Jeu
Publicado: (1998)

Probing Interactions between Electron Donors and the Support in MgCl(2)-Supported Ziegler–Natta Catalysts
por: Blaakmeer, E. S. Merijn, et al.
Publicado: (2018)

Multisite Ion Model in Concentrated Solutions of Divalent Cations (MgCl(2) and CaCl(2)): Osmotic Pressure Calculations
por: Saxena, Akansha, et al.
Publicado: (2014)

Impact of partial substitution of NaCl by KCl, and MgCl(2) on physicochemical and sensory properties of cooked sausages during storage
por: Jin, Sang-Keun, et al.
Publicado: (2020)

Effect of MgCl(2) and GdCl(3) on ORAI1 Expression and Store-Operated Ca(2+) Entry in Megakaryocytes
por: Zhou, Kuo, et al.
Publicado: (2021)

Mechanism of action of Acanthamoeba profilin: demonstration of actin species specificity and regulation by micromolar concentrations of MgCl2
Publicado: (1982)

Large-Scale Growth of Tubular Aragonite Whiskers through a MgCl(2)-Assisted Hydrothermal Process
por: Ren, Minyan, et al.
Publicado: (2011)

Thermal Boundary Characteristics of Homo-/Heterogeneous Interfaces
por: Heijmans, Koen, et al.
Publicado: (2019)

Influence of Mg(2+) Distribution on the Stability of Folded States of the Twister Ribozyme Revealed Using Grand Canonical Monte Carlo and Generative Deep Learning Enhanced Sampling
por: Sengul, Mert Y., et al.
Publicado: (2023)

Effect of Internal Donors on Raman and IR Spectroscopic Fingerprints of MgCl(2)/TiCl(4) Nanoclusters Determined by Machine Learning and DFT
por: D’Amore, Maddalena, et al.
Publicado: (2022)

Canonical demon Monte Carlo renormalization group
por: Hasenbusch, M, et al.
Publicado: (1994)

Influence of Capillary Bridge Formation onto the Silica Nanoparticle Interaction Studied by Grand Canonical Monte Carlo Simulations
por: Leroch, Sabine, et al.
Publicado: (2013)

Effect of Temperature and Impurity Content to Control Corrosion of 316 Stainless Steel in Molten KCl-MgCl(2) Salt
por: Li, Na, et al.
Publicado: (2023)

Thermal Stability and Kinetics of Formation of Magnesium Oxychloride Phase 3Mg(OH)(2)∙MgCl(2)∙8H(2)O
por: Lojka, Michal, et al.
Publicado: (2020)

On the Beneficial Effect of MgCl(2) as Electrolyte Additive to Improve the Electrochemical Performance of Li(4)Ti(5)O(12) as Cathode in Mg Batteries
por: Cabello, Marta, et al.
Publicado: (2019)

Effect of Magnesium Salt (MgCl(2) and MgSO(4)) on the Microstructures and Properties of Ground Granulated Blast Furnace Slag (GGBFS)-Based Geopolymer
por: Zhang, Kun, et al.
Publicado: (2022)

Investigating the High-Temperature Water/MgCl(2) Interface through Ambient Pressure Soft X-ray Absorption Spectroscopy
por: Tavani, Francesco, et al.
Publicado: (2023)

Partial Replacement of NaCl by KCl, MgCl(2) and CaCl(2) Chloride Salts in the Production of Sucuk: Effects on Volatile Compounds, Lipid Oxidation, Microbiological and Sensory Properties
por: Şimşek, Derya, et al.
Publicado: (2023)

Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble
por: Poursaeidesfahani, Ali, et al.
Publicado: (2017)

Corrosion Behavior of Nitrogen-Containing Low-Nickel Weld Cladding in KCl-MgCl(2) Eutectic Molten Salt at 900 °C
por: Yang, Taisen, et al.
Publicado: (2022)

Behaviors in Ethylene Polymerization of MgCl(2)-SiO(2)/TiCl(4)/THF Ziegler-Natta Catalysts with Differently Treated SiO(2)
por: Senso, Nichapat, et al.
Publicado: (2011)

COMBINATION OF SALTS AND PROTEINS : III. THE COMBINATION OF CuCl(2), MgCl(2), CaCl(2), AlCl(3), LaCl(3), KCl, AgNO(3)AND Na(2)SO(4)WITH GELATIN.
por: Northrop, John H., et al.
Publicado: (1928)

MgCl(2) promotes mouse mesenchymal stem cell osteogenic differentiation by activating the p38/Osx/Runx2 signaling pathway
por: Ni, Su, et al.
Publicado: (2020)

Modelling and simulation of chemical reaction of porous MgCl2 pellets with NH3 by including impact of heat and mass transfer and structure change
por: HELVACI, Zeynep Karakaş, et al.
Publicado: (2023)

Impact of Ribosomal Modification on the Binding of the Antibiotic Telithromycin Using a Combined Grand Canonical Monte Carlo/Molecular Dynamics Simulation Approach
por: Small, Meagan C., et al.
Publicado: (2013)

Screening metal-organic frameworks for adsorption-driven osmotic heat engines via grand canonical Monte Carlo simulations and machine learning
por: Long, Rui, et al.
Publicado: (2020)

MgCl(2) and ZnCl(2) promote human umbilical vein endothelial cell migration and invasion and stimulate epithelial-mesenchymal transition via the Wnt/β-catenin pathway
por: Pan, Shuang, et al.
Publicado: (2017)

Characterization of MgCl(2)·6H(2)O-Based Eutectic/Expanded Perlite Composite Phase Change Material with Low Thermal Conductivity
por: Zhang, Chao, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_58h9qcn05n2bcvauck5tnbtksh