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Computer-aided Tool for Property Estimation

Nowadays, there are many ways to search for and/or estimate the property of chemicals, such as searching on the internet, checking the property from textbooks and hand calculations. These options can take a lot of time. PSEforSPEED offers an easier alternative through the different tools in ProCAPE. The purpose of ProCAPE is to provide an integrated platform for fast and reliable properties of different chemical systems using in-house and adopted property models. ProCAPE provides options for important properties for pure components as well as mixtures and phase equilibrium. Moreover, it also provides an efficient search for measured properties through its databases.

ProCAPE offers 7 main functions

• Modelling Toolbox

• Property model validation

• Molecular Structure (Utility)

• Database Manager

• Property Estimation for Pure

• Property Estimation for Organic System, Electrolytes and Reactive Mixture

• Solid-solvent Analysis

Main Interface of ProCAPE

ProCAPE Feature examples


Retrieve property data from the database

✔Chemical properties: Tm, Tb, Tc, Pc, Flash point etc.

✔Temperature dependent properties from experiment and estimation: ex. Density, Heat capacity etc.

✔Solvent properties

Property Estimation Pure

Provide molecular description and get

✔ 57 single value and 9 functional properties from experiment and estimation

✔ Phase diagrams

✔ Correlation Equation

Property Estimation Mixture

Provide mixture description and Generate


✔ Saturation (bubble or dew) points

✔ Driving force

✔ Phase diagrams: PT-PH-PS flash

✔ Separation Efficiency

✔ ……

Property Estimation Reactive Mixture

For the standard calculations

✔Binodal, residue and azeotrope calculations

✔Driving force-based distillation design calculations

✔Equilibrium based distillation design calculations

For the element-based calculations = For reactive system

✔PT-Flash and bubble point calculations

✔Ternary phase diagrams

✔Distillation design

Property Model Validation & Test Tool

✔ Model Validation

✔ Properties Estimatation

✔ Validate model parameters

✔ Fine-tune

Want to see more information about ProCAPE? Please visit our YouTube Channel for ProCAPE demonstration!

Go to Our Youtube Channel, Click

Interested in our software? Please contact us for more information.