Sorption
Molecular adsorption into microporous structures such as zeolites, aluminophosphates, or polymers is crucial in numerous applications including air separation, hydrocarbon cracking, gas sensors, and ion exchange. BIOVIA Materials Studio Sorption provides a means of predicting fundamental properties, such as sorption isotherms (or loading curves) and Henry’s constants, needed for investigating separations phenomena. In addition, modeling can be used to rationalize sorption properties in terms of molecular level processes.
- Level
- Fundamental
- Length
- 2 hours
- Product
- Materials Studio
Topics covered
- Tasks
- Fixed Pressure, Fixed Loading, Henry Constant, Adsorption Isotherm, Sorbate Location
- Configuration Sampling
- Monte Carlo Methods
- Other DialogTabs:
- Energy, Constraints, Properties
- Simulation Tips
- Scripting
- Adsorption Locator vs. Sorption
Before you start
Introduction to Materials Studio
Related courses
Introduction to Materials Studio
Adsorption Locator
Amorphous Cell
Blends
CASTEP Introduction
CASTEP Advanced
Conformers
DFTB+
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