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Updated: Oct 22, 2025
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An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
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Molecular thermodynamics for food science and engineering
Phuong-Mai Nguyen1, Wafa Guiga2, Olivier Vitrac1
1UMR 1145 GENIAL "Food Processing and Engineering", INRA, AgroParisTech, Université Paris-Saclay, 91300 Massy, France.
Food Research International (Ottawa, Ont.)
|August 30, 2017
Summary
Molecular modeling will soon enable rapid calculation of food thermodynamic properties. This advances food science and engineering by linking composition, processing, and storage for optimized food and packaging development.
Area of Science:
- Food Science and Engineering
- Computational Chemistry
- Materials Science
Background:
- Accurate prediction of thermodynamic properties is crucial for food science and engineering.
- Current methods for estimating these properties can be time-consuming and lack precision.
- Understanding molecular interactions is key to optimizing food composition, processing, and storage.
Purpose of the Study:
- To highlight the potential of molecular modeling for calculating thermodynamic properties in food science.
- To demonstrate how multiscale modeling can bridge composition, process, and storage effects.
- To introduce theoretical frameworks for understanding solute chemical potentials in complex food systems.
Main Methods:
- Utilizing first-principles molecular modeling approaches.
- Employing atomistic and coarse-grained simulation techniques.
- Focusing on solute chemical potentials in polymers, liquids, and their mixtures.
Main Results:
- Anticipation of rapid (within hours) calculation of thermodynamic properties from first principles.
- Enabling multiscale modeling to connect food composition, processing, and storage.
- Providing theoretical understanding for solute behavior in complex polynary and polymeric systems.
Conclusions:
- Molecular modeling offers a powerful future tool for food science and engineering.
- This approach facilitates global optimization and innovation in food and packaging.
- Theoretical insights into solute chemical potentials are essential for complex food matrices.
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