COSMOlogic COSMOthermX 21.0 crack download working tested

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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.

COSMOlogic COSMOthermX 21.0
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