COSMOlogic COSMOthermX 21.0
COSMOlogic COSMOthermX 21.0 - cracked download free made easy,full crack descargar
COSMOlogic COSMOthermX 21.0 crack download working COSMOthermX 21.0 is a powerful software tool primarily used in the field of chemical engineering, physical chemistry , and process simulation for predicting thermodynamic properties of chemical mixtures using the COSMO-RS (Conductor-like...
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COSMOlogic COSMOthermX 21.0 crack download working
COSMOthermX 21.0 is a powerful software tool primarily used in the field of chemical engineering, physical chemistry , and process simulation for predicting thermodynamic properties of chemical mixtures using the COSMO-RS (Conductor-like Screening Model for Real Solvents) methodology.
Developed by COSMOlogic GmbH & Co. KG (a company now part of BIOVIA , a Dassault Systèmes brand), COSMOthermX allows scientists and engineers to calculate thermodynamic data such as:
- Vapor-liquid equilibria (VLE)
- Liquid-liquid equilibria (LLE)
- Activity coefficients
- Partition coefficients (logP)
- Solubilities
- pKa values
- Enthalpies of mixing
- Surface tensions
- And more
Key Features of COSMOthermX 21.0
1. Thermodynamic Predictions Without Experimental Data
- Based on quantum chemical calculations (usually via Turbomole or other DFT tools)
- Uses COSMO surface charge densities to predict thermodynamic behavior
- Eliminates the need for extensive lab work in many cases
2. Integrated GUI (Graphical User Interface)
- User-friendly interface for setting up calculations and visualizing results
- Supports batch processing for high-throughput screening of solvents or compounds
3. Database of Pre-Calculated COSMO Files
- Comes with a database of pre-computed .cosmo files for thousands of molecules
- Users can also generate their own using compatible quantum chemistry software
4. Support for Ionic Liquids
- Specialized models for handling ionic liquids and charged species
- Useful in green chemistry and solvent design applications
5. Integration with Process Simulators
- Can be integrated with tools like Aspen Plus , gPROMS , or PRO/II for property prediction in process flowsheets
6. New Features in Version 21.0
- Enhanced accuracy in solubility predictions
- Improved modeling of hydrogen bonding and polar systems
- Better performance and faster computation times
- Expanded molecule database
- Enhanced visualization tools for sigma profiles and interaction energies
