Joy Chukwuemeka Peter Ukpaka,
Victor Chukwuemeka Ukpaka,
Abraham Peter Ukpaka,
Chukwuemeka Peter Ukpaka,
- Research Student, College of Allied Medical Sciences, Department of Pharmacy, Lyceum of the Philippines University, Cavite, Philippines
- Research Student, College of Engineering, Computer Studies and Architecture, Department of Industrial Engineering, Lyceum of the Philippines University, Cavite, Philippines
- Research Student, College of Engineering, Computer Studies and Architecture, Department of Computer Engineering, Lyceum of the Philippines University, Cavite, Philippines
- Professor, Department of Chemical/Petrochemical Engineering, Rivers State University Port Harcourt, Rivers State, Nigeria
Abstract
This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced computational techniques, including molecular dynamics (MD) simulations and density functional theory (DFT), are employed. The results demonstrate that parameters such as ion size, charge, lattice configuration, and temperature are pivotal in determining polarization characteristics. Notably, the findings indicate nonlinear polarization responses at high electric fields and highlight the critical role of lattice defects in modifying polarization. These insights have important implications for the development and optimization of dielectric materials used in a range of applications, including capacitors and high-frequency electronic devices. Future investigations should focus on expanding the models to include more intricate materials and conditions, thereby enhancing the ability to predict and tailor dielectric properties.
Keywords: Dielectric properties, Ionic polarization, Molecular dynamics simulations, Density functional theory, Lattice defects
[This article belongs to International Journal of Cheminformatics ]
Joy Chukwuemeka Peter Ukpaka, Victor Chukwuemeka Ukpaka, Abraham Peter Ukpaka, Chukwuemeka Peter Ukpaka. Overview of Ionic Polarization: A Model Based Novel Approach. International Journal of Cheminformatics. 2025; 02(02):18-25.
Joy Chukwuemeka Peter Ukpaka, Victor Chukwuemeka Ukpaka, Abraham Peter Ukpaka, Chukwuemeka Peter Ukpaka. Overview of Ionic Polarization: A Model Based Novel Approach. International Journal of Cheminformatics. 2025; 02(02):18-25. Available from: https://journals.stmjournals.com/ijci/article=2025/view=202235
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| Volume | 02 |
| Issue | 02 |
| Received | 24/12/2024 |
| Accepted | 25/01/2025 |
| Published | 16/02/2025 |
| Publication Time | 54 Days |
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