BIOVIA COSMOtherm

BIOVIA COSMOtherm

Dassault Systèmes
Khimera

Khimera

Kintech Laboratory
+
+

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About

BIOVIA COSMOtherm is an advanced COSMO-RS implementation that combines quantum chemistry and thermodynamics to predict thermodynamic properties of liquids. It calculates the chemical potential of molecules in pure or mixed liquids across variable temperatures, enabling the prediction of properties such as solubility, partitioning, vapor pressure, and phase diagrams. Unlike other methods, COSMOtherm applies thermodynamically consistent equations to predict properties as functions of concentration and temperature. Key features include the ability to predict solubility of liquids, solids, and gases; activity coefficients; two-phase partitioning (e.g., LogP); phase behavior; vapor pressures; free energy of solvation; pKa; energy of transfer to liquid-liquid interfaces; micelle and membrane partitioning; and interfacial tension. COSMOtherm offers an easy-to-use graphical interface and a command-line version for seamless integration into existing workflows.

About

Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Chemical engineers and researchers interested in a tool to predict thermodynamic properties of liquids accurately, facilitating efficient solvent selection and formulation design

Audience

Companies seeking a solution to calculate the kinetic parameters of microscopic processes

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 5.0 / 5
ease 4.0 / 5
features 4.0 / 5
design 4.0 / 5
support 3.0 / 5

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

Dassault Systèmes
Founded: 1981
France
www.3ds.com/products/biovia/cosmo-rs/cosmotherm

Company Information

Kintech Laboratory
Russian Federation
www.kintechlab.com/products/khimera/

Alternatives

BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes

Alternatives

BIOVIA COSMOtherm

BIOVIA COSMOtherm

Dassault Systèmes
Khimera

Khimera

Kintech Laboratory
BIOVIA COSMO-RS

BIOVIA COSMO-RS

Dassault Systèmes
Aurora Drug Discovery

Aurora Drug Discovery

Aurora Fine Chemicals
Aurora Drug Discovery

Aurora Drug Discovery

Aurora Fine Chemicals
BIOVIA TURBOMOLE

BIOVIA TURBOMOLE

Dassault Systèmes

Categories

Categories

Chemical Features

Certificates of Analysis
Chemical Process Simulation
Computer-Assisted Structure Elucidation (CASE)
Inventory Management
ISO Management
Particle Tracking
Reporting & Statistics
Samples Tracking
Traceability
Uncertainty Analysis

Integrations

No info available.

Integrations

No info available.
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