Industrial Applications
MAPS can be valuable in many applications areas and can be used in various industries where chemical or chemical engineering research is performed. Selected applications are listed below:
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- Properties of polymers, polymer blends and polymer additive systems
- Compatibility of mixtures
- Calculation of phase diagrams
- Polymer morphology
- VLE behavior of single and multicomponent systems
- Thermodynamic properties for process engineering
- Homogeneous catalysis
- Heterogeneous catalysis
Petrochemical, Oil and Gas:
- VLE behavior of single and multicomponent systems
- Thermodynamic properties for process engineering
- Performance of separator membranes, lubricants and other additives
- Friction coefficients and viscosity of liquids
- Corrosion of metal parts
- Homogeneous catalysis
- Heterogeneous catalysis
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- Determination of critical micelle concentration
- Morphology of detergent systems, interaction of detergent systems with surfaces, e.g. hair
- Compatibility of perfumes and soaps with surfactants
- Surface tension and interfacial properties
Transport and defense:
- Stability and morphology of alloys
- Performance of propellants
- Heterogeneous catalysis, for example in exhausts
- Stability of metal/ polymer interfaces
- Aging of materials
Drug release and pharmaceutical:
- Stability of drug release systems
- Diffusion of drugs through release systems
- Interaction of growth inhibitors with drug crystals
- Solubility of drugs in various solvents
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How our simulation technology is used
- The Classical tools allow the calculation of explicit energetics of mixtures, which can be translated into the phase behavior of materials.
- The Mesoscale tools estimate the morphology of complex polymer and polymer solvent mixtures.
- The Quantum tools allow the prediction of the electronic state of the material, calculate transition states and predict a variety of optical properties.
- The Chemical engineering tools allow the calculation of detailed phase equilibrium based on thermodynamic equations for solids, liquids and gases.
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