Category: Introduction to Computations in Chemical Engineering

4 Parts of Computational Thinking

Chemical calculations are crucial because they help you to precisely determine the amounts of reactants needed and the yield of products to expect from a chemical reaction. By mastering these calculations, you can optimise reactions for maximum efficiency, minimise waste, and better understand reaction mechanisms

Computational Engineering methods and frameworks include:

In thermodynamics we utilize a few basic concepts: energy, entropy, and equilibrium. The ways in which these are related to one another and to temperature, pressure, and density are best understood in terms of the connections provided by molecular mechanisms.

Chemical engineering is a discipline influencing numerous areas of technology. In broad terms, chemical engineers conceive and design processes to produce, transform, and transport materials — beginning with experimentation in the laboratory followed by the implementation of the technology in full-scale production.

Computational chemical engineering could be any computaional technolgy used to solve problems and help chemical engineers design chemical plants. It could be computational process design, computational fluid mechanics or computational heat & mass transfer. using numerical analysis or finite lement methods.

Computational chemical engineering involves the development and application of numerical simulation and optimisation technology in order to ultimately improve design, operation and control of complex systems throughout the natural and human-generated world