Skip to main content
All tools

Tools · Fluids & Thermodynamics

Microkinetic Catalysis Analyzer

Steady-state turnover frequencies, surface coverages and degree of rate control for catalytic surface mechanisms, with volcano scans

Open in the appRun via API

Hardware and price

Price per run

What a typical run reserves from your wallet: the catalog's expected runtime on each piece of hardware × your plan's per-second rate. Larger inputs reserve more, and you're charged only for the seconds the job actually runs.

Microkinetic Catalysis Analyzer: reservation per run, USD
HardwareTypical runtimeBasicStarterProEnterprise
CPUDefault2 min$0.017$0.0096$0.006$0.0036

In workflows

Chain it with other steps.

Each input and output has a data kind, so the builder only connects steps that fit.

Inputs

  • Kinetic mechanism · optionalYAML

Outputs

  • TableCSV
  • ArchiveZIP
  • TableCSV
  • TableCSV
  • TableCSV
  • TableCSV

References

The method behind it.

  1. David G Goodwin, Harry K Moffat, Ingmar Schoegl et al. (2023). Cantera: An Object-oriented Software Toolkit for Chemical Kinetics, Thermodynamics, and Transport Processes. Zenodo. doi:10.5281/zenodo.8137090 (opens in a new tab)
  2. Pauli Virtanen, Ralf Gommers, Travis E. Oliphant et al. (2020). SciPy 1.0: fundamental algorithms for scientific computing in Python. Nature Methods. doi:10.1038/s41592-019-0686-2 (opens in a new tab)
  3. Charles T. Campbell (2001). Finding the Rate-Determining Step in a Mechanism. Journal of Catalysis. doi:10.1006/jcat.2001.3396 (opens in a new tab)
  4. Carsten Stegelmann, Anders Andreasen, Charles T. Campbell (2009). Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates. Journal of the American Chemical Society. doi:10.1021/ja9000097 (opens in a new tab)
  5. Charles T. Campbell (2017). The Degree of Rate Control: A Powerful Tool for Catalysis Research. ACS Catalysis. doi:10.1021/acscatal.7b00115 (opens in a new tab)
  6. J. K. Nørskov, T. Bligaard, A. Logadottir et al. (2002). Universality in Heterogeneous Catalysis. Journal of Catalysis. doi:10.1006/jcat.2002.3615 (opens in a new tab)
  7. O. Deutschmann, R. Schmidt, F. Behrendt et al. (1996). Numerical modeling of catalytic ignition. Symposium (International) on Combustion. doi:10.1016/s0082-0784(96)80400-0 (opens in a new tab)
  8. Raúl Quiceno, Javier Pérez-Ramírez, Jürgen Warnatz et al. (2006). Modeling the high-temperature catalytic partial oxidation of methane over platinum gauze: Detailed gas-phase and surface chemistries coupled with 3D flow field simulations. Applied Catalysis A: General. doi:10.1016/j.apcata.2006.01.041 (opens in a new tab)

Run via API

Submit it from your own code.

Use an API key from your account. The estimate uses your plan's rates; submitting reserves that amount from your wallet.

# Estimate the reservation for your plan (payload fields: see the API reference)
curl -X POST https://api.cognichem.com/api/v1/jobs/estimate \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Content-Type: application/json" \
  -d '{"job_type": "microkinetic-analyze", "resource": "cpu", "payload": {}}'

# Submit (retrying with the same Idempotency-Key never submits twice)
curl -X POST https://api.cognichem.com/api/v1/jobs/submit \
  -H "X-Api-Key: $COGNICHEM_API_KEY" \
  -H "Idempotency-Key: $(uuidgen)" \
  -H "Content-Type: application/json" \
  -d '{"job_name": "microkinetic-analyze-1", "job_type": "microkinetic-analyze", "resource": "cpu", "payload": { ... }}'
Payload fields and examples in the docs

Fluids & Thermodynamics

Related tools

  • Cantera

    Chemical kinetics, thermodynamics, and transport simulations for combustion and reacting flows

  • VLE / Flash

    Multicomponent vapor–liquid phase equilibrium with cubic EOS and UNIFAC or NRTL activity models

  • VLE Thermodynamic Consistency Checker

    Check binary Txy or Pxy vapor–liquid equilibrium data with Gibbs–Duhem area, point, and endpoint tests

  • VLE Parameter Regression

    Fit binary NRTL interaction parameters to measured Txy or Pxy vapor–liquid equilibrium data

  • Solid–Liquid Equilibrium / Eutectic Diagram

    Binary liquidus curves, eutectic point, and solubility versus temperature with ideal, NRTL, or UNIFAC activity

  • RMG Mechanism Generator

    Generate Chemkin / Cantera reaction mechanisms with RMG-Py from species, T/P, and termination

All tools