Custom Reaction Simulations

Explore Chemical Reactions in Silico

Predict chemical reactions before entering the lab. ExoMatter’s high throughput simulations help R&D teams identify the most promising inorganic materials – saving months of trial & error.

Put Your Material Candidates to the Test

Examine chemical reactions digitally before running experiments: Within minutes, your R&D team can simulate chemical reactions through thermodynamic calculations, tailored to your process parameters.

Make Use of Custom Reaction Simulations for:

 

  • Screening of catalysts, especially in heterogenous catalysis
  • Exhaust gas treatment and chemisorption of gases
  • Corrosion resistance and stability analysis
  • Solid state reactions and formation of ceramics
  • Redox reactions, redox thermochemistry
  • Protective coatings and evaluation of chemical resistance

Specific Simulation Possibilities

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Choose Reactant A and B

Choose Pressure and Temperature
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Define Side Products – If Available
Thermodynamic Values of Reactions

Want to Learn More?

Content Tip: On-Demand Webinar

Custom Reaction Simulations in Minutes with ExoMatter

Discover how you can screen a wealth of inorganic crystalline materials and run custom simulations of all possible chemical reactions, like thermodynamic calculations, based on your process parameters and reactants.

Watch this on-demand webinar to see how the power of ExoMatter’s custom reaction simulations enables material scientists to find new catalysts, gas separation and treatment materials, ceramics and chemically-resistant materials in minutes rather than months.