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Heat capacity of water at extremes of supercooling and superheating

https://doi.org/10.1021/j100395a032
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Chapter 5 A Review of the TIP4P, TIP4P-Ew, TIP5P, and TIP5P-E Water Models
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Appendix: Conversions and Constants
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Fundamentals of Atmospheric Modeling
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Preface
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Introduction
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Atmospheric structure, composition, and thermodynamics
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The continuity and thermodynamic energy equations
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The momentum equation in Cartesian and spherical coordinates
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Vertical-coordinate conversions
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Numerical solutions to partial differential equations
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Finite-differencing the equations of atmospheric dynamics
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Boundary-layer and surface processes
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Radiative energy transfer
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Gas-phase species, chemical reactions, and reaction rates
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Urban, free-tropospheric, and stratospheric chemistry
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Methods of solving chemical ordinary differential equations
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Particle components, size distributions, and size structures
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Aerosol emission and nucleation
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Coagulation
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Condensation, evaporation, deposition, and sublimation
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Chemical equilibrium and dissolution processes
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Cloud thermodynamics and dynamics
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Irreversible aqueous chemistry
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Sedimentation, dry deposition, and air–sea exchange
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Model design, application, and testing
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Appendix A Conversions and constants
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Appendix B Tables
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A Low-Temperature Thermodynamic Model for the Na-K-Ca-Mg-Cl System Incorporating New Experimental Heat Capacities in KCl, MgCl 2 , and CaCl 2 Solutions
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Activity of Supercooled Water on the Ice Curve and Other Thermodynamic Properties of Liquid Water up to the Boiling Point at Standard Pressure
inferred← citeshttps://doi.org/10.1021/acs.jchemed.8b00561openalex-snapshot
Using the Principles of Classical and Statistical Thermodynamics To Calculate the Melting and Boiling Points, Enthalpies and Entropies of Fusion and Vaporization of Water, and the Freezing Point Depression and Boiling Point Elevation of Ideal and Nonideal Aqueous Solutions
inferred← citeshttps://doi.org/10.1021/acs.jctc.4c01005openalex-snapshot
Current Status of the MB-pol Data-Driven Many-Body Potential for Predictive Simulations of Water Across Different Phases
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c00949openalex-snapshot
Statistical Mechanical Theory of Liquid Water
inferred← citeshttps://doi.org/10.1021/acs.jctc.5c01325openalex-snapshot
Understanding Isotope Substitution Effects in Water Using the Potential Energy Landscape Formalism for Quantum Liquids
inferred← citeshttps://doi.org/10.1021/acs.jctc.9b00478openalex-snapshot
Development of an Advanced Force Field for Water Using Variational Energy Decomposition Analysis
inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c02052openalex-snapshot
Dynamical Transitions of Supercooled Water in Graphene Oxide Nanopores: Influence of Surface Hydrophilicity
inferred← citeshttps://doi.org/10.1021/acs.jpcb.2c09136openalex-snapshot
Anomalous Vapor and Ice Nucleation in Water at Negative Pressures: A Classical Density Functional Theory Study
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c00696openalex-snapshot
Liquid–Liquid Criticality in TIP4P/2005 and Three-State Models of Water
inferred← citeshttps://doi.org/10.1021/acs.jpcb.3c00703openalex-snapshot
Phase Diagram of Aqueous Solutions of LiCl: a Study of Concentration Effects on the Anomalies of Water
inferred← citeshttps://doi.org/10.1021/acs.jpcb.4c03909openalex-snapshot
Analytic Correlation for the Thermodynamic Properties of Water at Low Temperatures (200–300 K) and High Pressures (0.1–400 MPa)
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c00644openalex-snapshot
Phase Diagram of Polyelectrolyte Solutions in Ice and Water
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c01657openalex-snapshot
Isotope-Substitution Effects on the Thermodynamic, Dynamic, and Structural Properties of Water: H2O, HDO, D2O, and T2O
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c07141openalex-snapshot
Structural Origin of Translational Jumps and Allied Dynamical Anomalies in Supercooled Water
inferred← citeshttps://doi.org/10.1021/acs.jpclett.0c02896openalex-snapshot
Could Chemical Reaction at the Molecular Level Show Distinction between Two Liquid-Water States? Study of the Excited-State Water-Catalyzed Proton Transfer Reaction Provides a Clue
inferred← citeshttps://doi.org/10.1021/acs.jpclett.2c00567openalex-snapshot
Anomalies and Local Structure of Liquid Water from Boiling to the Supercooled Regime as Predicted by the Many-Body MB-pol Model
inferred← citeshttps://doi.org/10.1021/acs.jpclett.4c02131openalex-snapshot
Thermal Transport and Thermal Polarization of Water in the Supercooled Regime
inferred← citeshttps://doi.org/10.1021/acs.jpclett.5c03082openalex-snapshot
Nucleation Statistics from Experiments as a Benchmark for Theory and Simulations
inferred← citeshttps://doi.org/10.1021/acs.jpclett.7b03068openalex-snapshot
Hypercooling Temperature of Water is about 100 K Higher than Calculated before
inferred← citeshttps://doi.org/10.1021/acs.langmuir.1c02838openalex-snapshot
Association with Imidazole in the Cooperative Order–Disorder Transition in Aqueous Solution of Schizophyllan
inferred← citeshttps://doi.org/10.1021/acs.langmuir.5c06138openalex-snapshot
Molecular Origins of Nonfrozen Water in Polyelectrolyte Brushes
inferred← citeshttps://doi.org/10.1021/acsami.4c18716openalex-snapshot
Deep-Eutectic Solvent as a Solvent and Precursor for the Synthesis of a Carbon-Coated Na3V2(PO4)2F3–yOy Material
inferred← citeshttps://doi.org/10.1021/ie102462gopenalex-snapshot
Specific Heat Capacity of Pure Water at 4.0 MPa between 298.15 and 465.65 K
inferred← citeshttps://doi.org/10.1021/je100226gopenalex-snapshot
Thermal Properties of Deuterium Oxide near the Triple Point Predicted from Nonequilibrium Evaporation
inferred← citeshttps://doi.org/10.1021/je2002607openalex-snapshot
Osmolality and Unfrozen Water Content of Aqueous Solution of Dimethyl Sulfoxide
inferred← citeshttps://doi.org/10.1021/je300064fopenalex-snapshot
Properties of Heavy Water in the Temperature Range T = 223 K to 373 K from Molecular Dynamics Simulation Using the Simple Point Charge/Heavy Water (SPC/HW) Model
inferred← citeshttps://doi.org/10.1021/jp0003914openalex-snapshot
Thermodynamic Properties of the NaCl + H2O System. 4. Heat Capacities of H2O and NaCl(aq) in Cold-Stable and Supercooled States
inferred← citeshttps://doi.org/10.1021/jp0007686openalex-snapshot
Low-Temperature Heat Capacity and Glassy Behavior of Lysozyme Crystal
inferred← citeshttps://doi.org/10.1021/jp010104bopenalex-snapshot
H2O below 277 K: A Novel Picture†,‡
inferred← citeshttps://doi.org/10.1021/jp0484332openalex-snapshot
Temperature and Pressure Dependence of the AMOEBA Water Model
inferred← citeshttps://doi.org/10.1021/jp062009eopenalex-snapshot
Direct Raman Evidence for a Weak Continuous Phase Transition in Liquid Water
inferred← citeshttps://doi.org/10.1021/jp104970sopenalex-snapshot
Findings of Cp Maximum at 233 K for the Water within Silica Nanopores and Very Weak Dependence of the Tmax on the Pore Size
inferred← citeshttps://doi.org/10.1021/jp108992aopenalex-snapshot
Densities and Apparent Molar Volumes of Atmospherically Important Electrolyte Solutions. 1. The Solutes H2SO4, HNO3, HCl, Na2SO4, NaNO3, NaCl, (NH4)2SO4, NH4NO3, and NH4Cl from 0 to 50 °C, Including Extrapolations to Very Low Temperature and to the Pure Liquid State, and NaHSO4, NaOH, and NH3 at…
inferred← citeshttps://doi.org/10.1021/jp110297qopenalex-snapshot
Crystallization Kinetics and Excess Free Energy of H2O and D2O Nanoscale Films of Amorphous Solid Water
inferred← citeshttps://doi.org/10.1021/jp2007396openalex-snapshot
Impact of Substrate, Aging, and Size on the Two Freezing Events of (NH4)2SO4/H2O Droplets
inferred← citeshttps://doi.org/10.1021/jp2034032openalex-snapshot
Calorimetric Study of Waterʼs Glass Transition in Nanoscale Confinement, Suggesting a Value of 210 K for Bulk Water
inferred← citeshttps://doi.org/10.1021/jp204011zopenalex-snapshot
Peculiar Thermodynamics of the Second Critical Point in Supercooled Water
inferred← citeshttps://doi.org/10.1021/jp2040345openalex-snapshot
Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
inferred← citeshttps://doi.org/10.1021/jp205109popenalex-snapshot
Energetic, Entropic, and Volumetric Effects in Nonaqueous Associated Solutions
inferred← citeshttps://doi.org/10.1021/jp2054348openalex-snapshot
Kinetics of Coupling Water and Cryoprotectant Transport across Cell Membranes and Applications to Cryopreservation
inferred← citeshttps://doi.org/10.1021/jp711768wopenalex-snapshot
Statistical Rate Theory Determination of Water Properties below the Triple Point
inferred← citeshttps://doi.org/10.1021/jp907736nopenalex-snapshot
Ordering and Freezing-in Phenomena of Nanochannel Water in Crystalline Organic/Inorganic Self-Assembled Complex [Cr(H2bim)3](TMA)·23.5H2O
inferred← citeshttps://doi.org/10.1021/jp981779qopenalex-snapshot
Increasing Contact-Ion Pairing as a Supercooled Water Anomaly. Estimation of the Fictive Temperature of Hyperquenched Glassy Water
inferred← citeshttps://doi.org/10.1021/jp991801vopenalex-snapshot
Equation of State of the Energy Landscape of SPC/E Water
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