Molecular-Based Modeling and Simulation Studies of Water–Water and Water–Macromolecule Interactions in Food and their Effects on Food Dehydration

Abstract

A molecular dynamics (MD) modeling and simulation approach has been developed to study porous food systems constructed with amylose chains. The results indicate that food macromolecules form porous structures and can make the adjacent water molecules strongly bound with reduced water activity and removal rate by providing additional water–macromolecule interactions that can significantly outweigh the reduction of the water–water interactions. These effects of pore structures are greater in systems with higher densities of food macromolecules and smaller in size pores. During dehydration, water molecules can develop concave menisci in large pores and nonplanar interfaces between the dried and hydrated sections of the food, and thus water removal can be considered to start from the largest pores and, in particular, from the middle of the pores. Dehydration in general results in reduced pore sizes, a decreased number of pore openings, increased water–macromolecule interactions, and reduced overall thermal conductivity, so that more heat and longer times are needed to further dehydrate the porous materials. Additionally, the average minimum entropy requirement for food dehydration is greater in food systems with higher densities of food macromolecules and lower water content.

Department(s)

Chemical and Biochemical Engineering

Keywords and Phrases

Bind Water Molecule; Food Material; Food System; Molecular Dynamic Modeling; Water Interaction

International Standard Serial Number (ISSN)

1571-0297

Document Type

Article - Journal

Document Version

Citation

File Type

text

Language(s)

English

Rights

© 2024 Springer, All rights reserved.

Publication Date

01 Jan 2013

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