Start here · the CHEMCAD round-trip

How good are the CHEMCAD parameters?

The walkthrough — a real CHEMCAD simulation of acetone and water, linked live, its physical-property parameters checked against measured data, refitted where it helps, and written back out. About seven minutes, narrated — the quickest way to see what Rareytec Thermo does.

Every film on this page is narrated in English, Thai and German:
6 min 59 s · narrated · 1080p Download the video
What the walkthrough covers
  1. 1Link a CHEMCAD simulation. The file is loaded into a live CHEMCAD instance and read through the COM interface — exactly what the engine would hand a unit operation.
  2. 2Read the property package. Components, correlations and binary interaction parameters, all recognised straight from the simulation.
  3. 3Independent estimates. Rarey-Nannoolal group-contribution values shown beside the simulation's, fully transparent — the groups, the parameters and the step-by-step calculation, each with its own range of validity.
  4. 4Bring in measured data. From Rareytec Thermo's own core data bank, and on demand from public sources (KDB, the NIST WebBook, PubChem) — every value keeping its provenance.
  5. 5Cross-check the parameters. Boiling point and vapour pressure against the measurements, with the live CHEMCAD curve called in real time.
  6. 6Predict and fit the mixture. Original UNIFAC, Modified UNIFAC (Dortmund) and the COSMO surface-charge picture; then regress NRTL against the classic Hirata data.
  7. 7The relative-volatility test. The quantity that sets the top of a distillation column — before and after the refit.
  8. 8Write it back to CHEMCAD. A neutral file or a fresh simulation, with your choice of UNIFAC groups — closing the round-trip.
Demo films

Rareytec Thermo, chapter by chapter

Six short narrated films that walk through Rareytec Thermo end to end — from starting a project and estimating a pure component, through importing a paper's data and fitting binary parameters, to a live CHEMCAD link, reading an analytical report, and letting Claude (the built-in AI assistant) build a reacting system. The in-depth series: about 38 minutes in all in English (42 in Thai, 47 in German); each chapter stands on its own. The language switch above applies here too.

Chapter 1
Rareytec Thermo Tour & a Pure Component
Creating a project, estimation methods, and fitting a pure component

A guided tour of Rareytec Thermo: start a project, add a pure component, and see how the Rarey-Nannoolal group-contribution engine estimates its properties. Then fit temperature-dependent correlations and check them against the data.

15:14 Download
Chapter 2
Experimental Data & Binary Mixtures
Importing a paper's VLE data and regressing NRTL parameters

Bring a published paper's vapour-liquid equilibrium data into a project and regress NRTL binary interaction parameters against it - the everyday workflow of turning literature into working model parameters.

8:32 Download
Chapter 3
The CHEMCAD Link & an Azeotrope
Isopropanol, water and cyclohexane with live CHEMCAD parameters

Connect a live CHEMCAD case and explore the isopropanol / water / cyclohexane system - including its azeotrope - using parameters pulled directly from CHEMCAD.

7:49 Download
Chapter 4
Reading a GC-MS Report
Turning an analytical PDF into a project

Point Rareytec Thermo at a GC-MS analytical report - pasted text or a PDF - and watch it read the document and turn it into a structured project. A short look at how flexible the import routes are.

0:48 Download
Chapter 5
Claude Builds a Reacting System
Oligomerizing ethylene glycol with propylene oxide, end to end

Ask Claude, in plain English, to build a reacting system: oligomerise ethylene glycol with propylene oxide, generate the first twenty oligomers, estimate all their properties and lay out the reaction kinetics - then export a VBA kinetics unit-op for CHEMCAD.

3:35 Download
Chapter 6
Sharing & the Road Ahead
Folders, shared parameter pools, and what's coming next

How projects, folders and shared parameter pools let a team work together - and a look at what's coming next for Rareytec Thermo.

1:55 Download