The exhaustive list of topics in Computer Applications in Chemical Engineering in which we provide Help with Homework Assignment and Help with Project is as follows:
- Nature of models and constitute equations in electronic structure
- Atomic structure
- Continuum description
- Process models and optimization.
- Bottom-up and top-down approaches to chemical process and product design
- Brief case-study from catalytic reaction engineering.
- Process simulation programs/approaches via static simulation of single unit operation.
- Dynamic simulation of single unit operation
- Effects of non-linearity.
- Scheduling and design of chemical processes.
- Process equipment design.
- Process evaluation using simulations
- Simulations of steady state flow sheet
- Case studies (e.g. Hydrodealklylation).
- Fundamentals of fluid flow modeling
- Finite differences
- Discretization
- Stability.
- Finite difference applications in heat conduction and convection.
- Solution of Navier-Stokes equation for incompressible flow: Grid generation
- Numerical stability
- Energy equation
- 1-D control volume techniques, Momentum equation.
- Brief introduction to finite element and finite volume method.
- Case study: Computational fluid modeling in chemical reaction engineering.
- Connection between macroscopic thermodynamics and statistical mechanics: Microscopic interpretation of entropy and temperature.
- Partition function
- Ensembles and fluctuations.
- Monte Carlo method: Metropolis method
- Detailed balance
- Monte Carlo method in different ensembles.
- Molecular dynamics method: Intermolecular potentials
- Computation of force and integrating equations of motion.
- Lyapunov instability
- Verlet algorithm
- Thermostats.
- Case studies from bioinformatics
- Drug design
- Material design.