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Tools · Fluids & Thermodynamics

Adsorption Isotherm Analyzer

Fit Langmuir, Toth, and Sips isotherms, BET areas, isosteric heats, and IAST mixture uptakes to rank porous adsorbents

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.

Adsorption Isotherm 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

  • Table (list)CSV, JSON

Outputs

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

References

The method behind it.

  1. 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)
  2. Paul Iacomi, Philip L. Llewellyn (2019). pyGAPS: a Python-based framework for adsorption isotherm processing and material characterisation. Adsorption. doi:10.1007/s10450-019-00168-5 (opens in a new tab)
  3. Stephen Brunauer, P. H. Emmett, Edward Teller (1938). Adsorption of Gases in Multimolecular Layers. Journal of the American Chemical Society. doi:10.1021/ja01269a023 (opens in a new tab)
  4. J. Rouquerol, P. Llewellyn, F. Rouquerol (2007). Is the BET equation applicable to microporous adsorbents?. Studies in Surface Science and Catalysis. doi:10.1016/s0167-2991(07)80008-5 (opens in a new tab)
  5. A. L. Myers, J. M. Prausnitz (1965). Thermodynamics of mixed-gas adsorption. AIChE Journal. doi:10.1002/aic.690110125 (opens in a new tab)
  6. Robert Sips (1948). On the Structure of a Catalyst Surface. The Journal of Chemical Physics. doi:10.1063/1.1746922 (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": "adsorption-isotherm", "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": "adsorption-isotherm-1", "job_type": "adsorption-isotherm", "resource": "cpu", "payload": { ... }}'
Payload fields and examples in the docs

Fluids & Thermodynamics

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