Simulation of Ascorbic Acid Release from Alginate‐Whey Protein Concentrates Microspheres at the Simulated Gastrointestinal Condition Using Netlogo Platform

Abstract

AbstractIn this article, our earlier researches were applied for ascorbic acid (AA) release study from Alginate‐Whey Protein Concentrate (AL‐WPC‐AA) microcapsule at the simulated gastrointestinal media. So, we created an agent‐based simulator using NetLogo platform to develop the virtual release tools. Diffusion equation is then fitted to the experimental release data, and finally diffusion coefficient and permeability funded for each condition. Results indicated that this agent‐based model can simulate the AA release process well, and there is a good R2 values (above 88.3%) between experimental and model release data. Conversely, results also show that the presence of the shear force and enzymes (pepsin and pancreatin) at the simulated gastrointestinal conditions significantly increase diffusion coefficients and release rate. Finally, this research suggested that we can easily use this agent‐based model for various nutrients and different situations.Practical ApplicationsIn this work, we developed an efficient agent‐based simulator for release study of the encapsulated AA using NetLogo platform. Our model was built in the NetLogo platform, which is a multiagent programming language and modeling environment with a good documentation, user‐friendly environment and visualization abilities. Our simulation model is accessible for nonexpert users, and it is possible to change or adjust parts of our agent‐based model to adapt the virtual release process to a specific real process. This model is the first version of a release simulator using the NetLogo platform. This article demonstrated that NetLogo model can simulate the AA release from AL‐WPC‐AA microcapsules well with the high correlation coefficient value. Our research also depicted that this simulation model can provide a strong tool for AA release prediction.