Simulating the green synthesis process of selenium nanoparticles using willow leaf extract under subcritical water conditions and evaluating their  properties

Dindar, Hamed; Isafi, Nima; Mohammadi-Aghdam, Sarvin; Ahmadi, Omid

doi:10.22104/ift.2025.7840.2235

Simulating the green synthesis process of selenium nanoparticles using willow leaf extract under subcritical water conditions and evaluating their properties

Document Type : Research Article

Authors

¹ Bachelor degree, Department of Chemical Engineering, Faculty of Engineering, University of Kurdistan, Sanandaj, Iran

² Associate Professor, Department of Chemistry, Payam Noor University, Tehran, Iran

³ Assistant Professor, Department of Chemical Engineering, Faculty of Engineering, University of Kurdistan, Sanandaj, Iran

10.22104/ift.2025.7840.2235

Abstract

The process of simulating selenium nanoparticle synthesis was explored as an effective approach to reduce both the cost and duration of research. The synthesis process was modeled using COMSOL Multiphysics software based on supercritical water conditions (temperatures above 100°C). Optimal parameters, including temperature and time, were identified to achieve desirable nanoparticle characteristics. The simulation results indicated that at a temperature of 200°C and duration of 80 minutes, the minimum necessary time to reach subcritical water conditions was attained. These findings suggest that process simulation plays a vital role in predicting outcomes, minimizing expenses, and accelerating the development of selenium nanoparticles across various applications. The physical and chemical analyses of the produced nanoparticles revealed an average size of approximately 95 nanometers, a polydispersity index of 0.295, and a zeta potential of around -19.8 mV, indicating high thermodynamic stability. Furthermore, the synthesized selenium nanoparticles exhibited a 42% Antioxidant activity, demonstrating a strong potential for free radical scavenging, and a 76% Antifungal efficacy, highlighting their suitability for antifungal applications.

Graphical Abstract

Highlights

Focus on green synthesis of selenium nanoparticles using the willow leaf extract
Theoretical methods and modeling to improve the design process and scalability
Key results from simulations and experimental investigations
Potential applications and importance of sustainability and biological efficiency
Link between experimental and computational research

Keywords

Main Subjects

Food engineering

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