ERD

Contributions to ionic activity coefficients: A review and comparison of equations of state with molecular simulations

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Ion Pairing in ePPC-SAFT for Aqueous and Mixed-Solvent Alkali Halide Solutions

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Unraveling thermodynamic anomalies of water: A molecular simulation approach to probe the two-state theory with atomisti...

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Capabilities and Limitations of the Classical Primitive Electrolyte Equation of State Approach

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Strong and weakelectrolytesolutions: modelingand classification

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Investigation of cross-association behavior in water–ethanol solutions: A combined computational-ATR spectroscopy stud...

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Composition-dependence of relative static permittivity in ePPC-SAFT for mixed-solvent alkali halides

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Ion-Ion Association in Electrolyte Solutions: A Theoretical Investigation

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Infrared spectroscopic analysis of hydrogen bonding in liquid-state associating substances

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Molecular Simulation of Lithium Carbonate Reactive Vapor–Liquid Equilibria Using a Deep Potential Model

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

How to account for the concentration dependency of relative permittivity in the Debye–Hückel and Born equations

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Getting Solid Predictions - Reliable Calculations of the Thermodynamic Properties of Crystalline Matter

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Performance assessment of high-throughput Gibbs free energy predictions of crystalline solids

Project: ElectroThermo

Updated at: 01-11-2025

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Project acronym ElectroThermo

Improving the Born equation: Origin of the Born radius and introducing dielectric saturation effects

Project: ElectroThermo

Updated at: 01-05-2025

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Project acronym ElectroThermo

Theoretical and practical investigation of ion–ion association in electrolyte solutions

Project: ElectroThermo

Updated at: 01-05-2025

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Project acronym ElectroThermo

Mean ionic activity coefficient of associative electrolyte solutions: A comparison study

Project: ElectroThermo

Updated at: 01-05-2025

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Project acronym ElectroThermo

Accurate formation enthalpies of solids using reaction networks

Project: ElectroThermo

Updated at: 01-05-2025

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Project acronym ElectroThermo

Response to “Comment on ‘Binding Debye–Hückel theory for associative electrolyte solutions’” [J. Chem. Phys. ...

Project: ElectroThermo

Updated at: 01-05-2025

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Project acronym ElectroThermo

Investigation of the Alcohols and Water Hydrogen Bonding Structure via Monomer Fraction Studies

Project: ElectroThermo

Updated at: 01-01-2025

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Project acronym ElectroThermo

The true Hückel equation for electrolyte solutions and its relation with the Born term

Project: ElectroThermo

Updated at: 15-06-2024

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Project acronym ElectroThermo

Ion–ion association is lost by linearizing the Poisson–Boltzmann equation when deriving the Debye–Hückel equation

Project: ElectroThermo

Updated at: 15-06-2024

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Project acronym ElectroThermo

Periodic Reporting for period 3 - ElectroThermo (New Paradigm in Electrolyte Thermodynamics)

Project: ElectroThermo

Updated at: 15-06-2024

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Project acronym ElectroThermo

Costa Tsonopoulos – his legacy and some personal reflections on cubic equations of state and beyond

Project: ElectroThermo

Updated at: 15-06-2024

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Project acronym ElectroThermo

A Review of Electrolyte Equations of State with Emphasis on Those Based on Cubic and Cubic-Plus-Association (CPA) Models

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

Conclusions from Round Table Discussion during IUT of ESAT 2021 electrolyte thermodynamics challenges - From industrial ...

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

Analysis of Some Electrolyte Models Including Their Ability to Predict the Activity Coefficients of Individual Ions

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

Artificial neural network modeling on the polymer-electrolyte aqueous two-phase systems involving biomolecules

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

Equations of state in three centuries. Are we closer to arriving to a single model for all applications?

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

Binding Debye-Hückel theory for associative electrolyte solutions

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

On the derivations of the Debye-Huckel equations

Project: ElectroThermo

Updated at: 27-04-2024

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Project acronym ElectroThermo

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