Thesis Abstract

<p> This project aims to explore the application of computational chemistry in industrial process design, focusing on the utilization of advanced computational tools and simulations to optimize chemical processes, predict molecular behavior, and accelerate product development in industrial settings. The study will investigate various computational chemistry techniques, such as molecular modeling, quantum chemistry calculations, and molecular dynamics simulations, and their integration into industrial process design. <br></p>

Thesis Overview

<p> </p><div>The application of computational chemistry plays a pivotal role in the design and optimization of industrial chemical processes. By leveraging advanced computational tools and simulations, industrial chemists can gain valuable insights into molecular behavior, reaction mechanisms, and process optimization, leading to enhanced efficiency, reduced waste, and accelerated product development. Therefore, there is a growing interest in exploring the application and implications of computational chemistry in industrial process design.</div><div>This project aims to address this interest by exploring the application of computational chemistry in industrial process design. The study will investigate various computational chemistry techniques, such as molecular modeling, quantum chemistry calculations, and molecular dynamics simulations, and their integration into industrial process design. Additionally, the project will assess the economic and environmental implications of implementing computational chemistry techniques in industrial settings.</div><div>The comprehensive investigation will involve a thorough analysis of computational chemistry techniques, their integration into industrial process design, and the economic and environmental implications of their implementation. The project will also include a detailed evaluation of the potential for industrial adoption and the market demand for sustainable computational chemistry practices. Through this research, the project aims to provide valuable insights and recommendations for the development and implementation of computational chemistry in industrial process design, contributing to sustainable practices and environmental stewardship in industrial chemistry.</div> <br><p></p>