Web Tools for Process Engineers

IMPORTANT NOTES

Any use made of the material is entirely at the user's own risk. No warranty of fitness for any purpose is given or implied.

In fact the primary purpose of this material is educational, and most methods are deliberately approximate.

Data and Properties

Isomer and boiling point databank
Molecular typewriter. Estimation of boiling points and pure component thermodynamic properties from structure.
Approximate vapour pressure calculation.
Ideal boiling point diagrams
Homogeneous azeotrope databank.
HTML heterogeneous azeotrope database. NB this uses weight compositions.
Approximate nonideal x-y diagrams
Approximate binary VLLE calculator.
Approximate calculation and plotting of ternary LLE.
Humidity and water vapour pressure calculator.

Units and Processes

Approximate ideal VLE calculations.
Approximate nonideal binary VLE calculations.
Shortuct distillation: binary and multicomponent.
Rigorous distillation: Ideal binary and ternary.
Whole flowsheet calculations:
- process oriented linear equation solver.
- a simple mass balance calculator,

Under Development or Proposed

If anyone has a particular interest in any of the following, please let me know and I may be able to accelerate development. Some are at a much more advanced stage than others. Trial versions will be linked in as available.

A range of tools for 2 and 3-component systems with simplified nonideal thermodynamics are in an experimental stage or still being designed.

3 component nonideal vapour-liquid equilibrium.
Nonideal binary distillation, including homogeneous and heterogeneous azeotropes.
Ternary distillation, including azeotropic, extractive and boundary crossing. (But not heterogeneous systems.)
Simple cascade design for solvent extraction, systems with singe region of miscibility.
Extraction with reflux, systems with two regions of miscibility.

Various reaction tools are also under development.

Example batch/PFR models using the online DAE solver.
Reaction free energy, enthalpy and equilibrium constant calculation.