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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 innovative and intelligent software tool, ProCAPE, as an easier alternative. The purpose of ProCAPE is to provide an integrated platform for fast and reliable access to chemical properties and phase equilibrium properties for different chemical systems. Using a combination of in-house and adopted property models, including machine learning-based models and group contribution-based models, ProCAPE ensures accurate property estimations. It provides options for important properties of pure compounds as well as mixtures, reactive systems, and phase equilibrium. Moreover, ProCAPE facilitates efficient searches for measured properties through its robust database of properties of chemicals.
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
Database
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
✔ VLE, SLE, LLE
✔ 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-tuning using advanced techniques like COSMO-sac.
ProCAPE is the ultimate solution for fast and accurate chemical property estimations, combining the power of its intelligent software tools, advanced models, and a robust database to enhance efficiency and reliability in process design and analysis.
Want to see more information about ProCAPE? Please visit our YouTube Channel for ProCAPE demonstration!
Interested in our software? Please contact us for more information.
