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Description

BIOVIA COSMOtherm represents a sophisticated implementation of COSMO-RS that merges principles of quantum chemistry with thermodynamics to forecast the thermodynamic characteristics of liquid substances. It computes the chemical potential of molecules in both pure and mixed liquids at varying temperatures, thus allowing for the estimation of various properties including solubility, partition coefficients, vapor pressures, and phase diagrams. In contrast to other approaches, COSMOtherm utilizes thermodynamically consistent equations to derive properties as a function of concentration and temperature, which enhances its accuracy. This tool is capable of predicting the solubility of liquids, solids, and gases, as well as providing values for activity coefficients, two-phase partitioning such as LogP, phase behavior, vapor pressures, free energy of solvation, pKa, energy of transfer to liquid-liquid interfaces, micellar and membrane partitioning, and interfacial tension. Additionally, COSMOtherm is equipped with a user-friendly graphical interface alongside a command-line version, facilitating smooth integration into pre-existing workflows, making it a versatile choice for researchers in the field. Its comprehensive capabilities make it a valuable asset for those seeking to understand complex liquid systems more thoroughly.

Description

Khimera serves as a tool for determining the kinetic parameters associated with microscopic processes, as well as the thermodynamic and transport characteristics of various substances and their mixtures within gases, plasmas, and at the gas-solid interface. Its main users include engineers and researchers who focus on developing kinetic models and engaging in thermodynamic and kinetic simulations pertinent to fields such as chemical engineering, combustion, catalysis, metallurgy, and microelectronics. This software is particularly well-suited for multi-scale modeling, as it connects the fundamental molecular properties of individual molecules with the ensemble-averaged characteristics of the reactive medium, encompassing thermodynamic and transport properties along with the rates of chemical reactions. Additionally, Khimera allows for the integration of quantum-chemical simulation results, enabling users to derive properties without requiring any experimental data from their side. By bridging the gap between different scales of modeling, Khimera enhances the understanding of complex systems in various scientific domains.

API Access

Has API No 

API Access

Has API No 

Screenshots View All

Screenshots View All

Integrations

No details available.

Integrations

No details available.

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Pricing Details

No price information available.
Free Trial No 
Free Version No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac No 
Linux No 
Chromebook No 

Deployment

Web-Based No 
On-Premises No 
iPhone App No 
iPad App No 
Android App No 
Windows Yes 
Mac No 
Linux No 
Chromebook No 

Customer Support

Business Hours Yes 
Live Rep (24/7) Yes 
Online Support Yes 

Customer Support

Business Hours No 
Live Rep (24/7) No 
Online Support Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Types of Training

Training Docs Yes 
Webinars Yes 
Live Training (Online) Yes 
In Person Yes 

Vendor Details

Company Name

Dassault Systèmes

Founded

1981

Country

France

Website

www.3ds.com/products/biovia/cosmo-rs/cosmotherm

Vendor Details

Company Name

Kintech Laboratory

Country

Russian Federation

Website

www.kintechlab.com/products/khimera/

Product Features

Chemical

Certificates of Analysis No 
Chemical Process Simulation No 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking No 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

Product Features

Chemical

Certificates of Analysis No 
Chemical Process Simulation Yes 
Computer-Assisted Structure Elucidation (CASE) No 
ISO Management No 
Inventory Management No 
Particle Tracking Yes 
Reporting & Statistics No 
Samples Tracking No 
Traceability No 
Uncertainty Analysis No 

Computer-Aided Engineering (CAE)

CAD/CAM Compatibility No 
Finite Element Analysis No 
Fluid Dynamics No 
Import / Export Files No 
Integrated 3D Modeling No 
Manufacturing Process Simulation No 
Mechanical Event Simulation No 
Multibody Dynamics No 
Thermal Analysis No 

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