Search research articles

ABOUT JoVE

Overview Leadership Blog JoVE Help Center

AUTHORS

Publishing Process Editorial Board Scope & Policies Peer Review FAQ Submit

LIBRARIANS

Testimonials Subscriptions Access Resources Library Advisory Board FAQ

RESEARCH

JoVE Journal Methods Collections JoVE Encyclopedia of Experiments Archive

EDUCATION

JoVE Core JoVE Business JoVE Science Education JoVE Lab Manual Faculty Resource Center Faculty Site

Terms & Conditions of Use

Related Concept Videos

The Thermodynamics of Mixing

The Thermodynamics of Mixing

Mixing is a fascinating phenomenon in thermodynamics, particularly when considering the Gibbs energy of a mixture at constant temperature and pressure. This energy, denoted as G, tends to decrease during spontaneous mixing processes, offering insights into the composition changes that occur.Imagine two ideal gases, initially separated in different containers, with amounts nA and nB, respectively, both at a temperature T and pressure p. The chemical potentials of these gases have their 'pure'...

Phase Diagrams of Ternary Systems

Phase Diagrams of Ternary Systems

Consider a ternary system, which is composed of three components: water (W), ethanoic acid (E), and trichloromethane (T). Here, Ethanoic acid (E) is fully miscible with both water (W) and trichloromethane (T), meaning it can mix entirely with either of them. However, water and trichloromethane have partial miscibility, meaning they can only mix to a certain extent, beyond which two separate phases will form.The phase diagram of a ternary system is represented as an equilateral triangle, where...

Dynamic Equilibrium

Dynamic Equilibrium

A reversible chemical reaction represents a chemical process that proceeds in both forward (left to right) and reverse (right to left) directions. When the rates of the forward and reverse reactions are equal, the concentrations of the reactant and product species remain constant over time and the system is at equilibrium. A special double arrow is used to emphasize the reversible nature of the reaction. The relative concentrations of reactants and products in equilibrium systems vary greatly;...

Thermodynamic Systems

Thermodynamic Systems

A thermodynamic system is a set of objects whose thermodynamic properties are of interest. The system is considered to be embedded in its surroundings or the environment. The system and its environment can exchange heat and do work on each other through a boundary that separates them. However, the immediate surroundings of the system interact with it directly and therefore have a much stronger influence on its behavior and properties.
Consider an example of tea boiling in a kettle. The tea and...

Thermodynamic Processes

Thermodynamic Processes

A thermodynamic process is a path through a sequence of states that takes a system from an initial state to a final state. In a cyclic process, the system returns to its initial state, so the changes in state properties and state functions (ΔT, Δp, ΔV, ΔU, ΔH) over one complete cycle are zero. However, heat and work transfers can still occur during the cycle, and the net heat and net work over the cycle need not be zero.A reversible process occurs when the system is infinitesimally close to...

Tandem Mass Spectrometry

Tandem Mass Spectrometry

Tandem mass spectrometry is a technique that uses multiple mass analyzers in series to obtain a higher selectivity and reduce chemical noise during analyte detection. Instruments with multiple analyzers separated by an interaction cell enable secondary fragmentation and selected study of the fragment ions.Secondary fragmentations occur in the interaction cell and can be induced by various factors. Fragmentation induced by collision with inert gases, such as N2, Ar, He, etc., is called...

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by

Same author

An Accurate Thermodynamic Model to Characterise Dissociating N<sub>2</sub>O<sub>4</sub> at Vapour-Liquid Equilibrium States.

International journal of thermophysics·2025

Same author

Equation of State for the Thermodynamic Properties of <i>Trans</i>-1,2-dichloroethene [R-1130(E)].

International journal of thermophysics·2025

Same author

An overview of Ukrainian thermophysics research (1926 to 2022).

International journal of thermophysics·2025

Same author

Thermodynamic properties of 2-methylindole: experimental and computational results for gas-phase entropy and enthalpy of formation.

The Journal of chemical thermodynamics·2024

Same author

NMR Spectroscopy and Multiscale Modeling Shed Light on Ion-Solvent Interactions and Ion Pairing in Aqueous NaF Solutions.

The journal of physical chemistry. B·2024

Same author

Thermodynamic Properties of Organic Substances: Experiment, Modeling, and Technological Applications.

The Journal of chemical thermodynamics·2024

Same journal

Mapping Evolution of Molecules across Biochemistry with Assembly Theory.

Journal of chemical information and modeling·2026

Same journal

Structural Proteomics-Based Deciphering of Hydrophobic Packing Fingerprints Informing Protein Thermostability in TIM Barrels.

Journal of chemical information and modeling·2026

Same journal

Bridging between Structure-Based and Data-Driven Affinity Prediction.

Journal of chemical information and modeling·2026

Same journal

Reinforcement Learning-Driven Multiproperty Optimization in Molecular Design Using Multicontext Transcriptome Data.

Journal of chemical information and modeling·2026

Same journal

EnsembleCycPerm: Interpretable Modeling of Cyclic Peptide Permeability through Solvent-Dependent Conformational Ensembles.

Journal of chemical information and modeling·2026

Same journal

Resolving Conformational Preferences of Monosaccharides from <sup>1</sup>H and <sup>13</sup>C NMR Chemical Shifts Using an Integrated MD and QM Approach.

Journal of chemical information and modeling·2026

See all related articles

Search research articles

Related Experiment Video

Updated: Jun 23, 2026

Preparation of Binary and Ternary Deep Eutectic Systems

Preparation of Binary and Ternary Deep Eutectic Systems

Published on: October 31, 2019

ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept. 3. Binary mixtures.

Vladimir Diky¹, Robert D Chirico, Andrei F Kazakov

¹Thermophysical Properties Division, National Institute of Standards and Technology, Boulder, Colorado 80305-3328, USA.

Journal of Chemical Information and Modeling

|May 13, 2009

Summary

This summary is machine-generated.

ThermoData Engine (TDE) software applies dynamic data evaluation to thermophysical properties of binary systems. It models phase equilibrium and individual properties, enhancing chemical data analysis.

More Related Videos

Heat Tolerance Assays Using the Drosophila Activity Monitor System: A Guide to an Executable Application for Data Analysis

Heat Tolerance Assays Using the Drosophila Activity Monitor System: A Guide to an Executable Application for Data Analysis

Published on: December 13, 2024

Optimization of Processing of Tiebangchui with Highland Barley Wine Based on the Box-Behnken Design Combined with the Entropy Method

Optimization of Processing of Tiebangchui with Highland Barley Wine Based on the Box-Behnken Design Combined with the Entropy Method

Published on: May 19, 2023

Related Experiment Videos

Last Updated: Jun 23, 2026

Preparation of Binary and Ternary Deep Eutectic Systems

Preparation of Binary and Ternary Deep Eutectic Systems

Published on: October 31, 2019

Heat Tolerance Assays Using the Drosophila Activity Monitor System: A Guide to an Executable Application for Data Analysis

Heat Tolerance Assays Using the Drosophila Activity Monitor System: A Guide to an Executable Application for Data Analysis

Published on: December 13, 2024

Optimization of Processing of Tiebangchui with Highland Barley Wine Based on the Box-Behnken Design Combined with the Entropy Method

Optimization of Processing of Tiebangchui with Highland Barley Wine Based on the Box-Behnken Design Combined with the Entropy Method

Published on: May 19, 2023

Area of Science:

Chemical Engineering
Physical Chemistry
Computational Chemistry

Background:

The dynamic data evaluation concept offers a novel approach to assessing thermophysical property data.
Existing software lacked a comprehensive implementation for evaluating binary system properties.

Purpose of the Study:

To present the first application of the dynamic data evaluation concept to binary chemical systems.
To implement and describe activity-coefficient models for phase equilibrium and individual property calculations within the ThermoData Engine (TDE).

Main Methods:

Implemented five activity-coefficient models (NRTL, UNIQUAC, Van Laar, Margules/Redlich-Kister, Wilson) for phase equilibrium (VLE, LLE, SLE).
Modeled individual properties including densities, surface tensions, critical parameters, excess enthalpies, viscosity, and thermal conductivity.
Integrated gas-phase models and extended program structure for seamless mixture and pure-component property linkage.

Main Results:

Successfully applied the dynamic data evaluation concept to binary systems, demonstrating its utility.
Detailed the implementation of multiple thermodynamic models within the TDE software.
Showcased initial application to reaction data, evaluating enthalpies of formation for C, H, O, N compounds.

Conclusions:

The ThermoData Engine (TDE) provides a robust platform for dynamic evaluation of thermophysical data in binary systems.
The implemented models and extensions enable accurate representation of phase equilibria and various physical properties.
Future enhancements will further expand TDE's capabilities in chemical data analysis and reaction thermodynamics.