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VLE Thermodynamic Consistency Checker

Audit binary Txy or Pxy vapor–liquid equilibrium data with Gibbs–Duhem area, point, endpoint, and infinite-dilution tests

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.

VLE Thermodynamic Consistency Checker: 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) · optionalCSV, JSON
  • Table (list) · optionalCSV, JSON

Outputs

  • ArchiveZIP
  • TableCSV
  • TableCSV
  • TableCSV

References

The method behind it.

  1. Jeong Won Kang, Vladimir Diky, Robert D. Chirico et al. (2010). Quality Assessment Algorithm for Vapor−Liquid Equilibrium Data. Journal of Chemical & Engineering Data. doi:10.1021/je1002169 (opens in a new tab)
  2. Hendrick C. Van Ness, Stanley M. Byer, Richard E. Gibbs (1973). Vapor-Liquid equilibrium: Part I. An appraisal of data reduction methods. AIChE Journal. doi:10.1002/aic.690190206 (opens in a new tab)
  3. Otto Redlich, A. T. Kister (1948). Algebraic Representation of Thermodynamic Properties and the Classification of Solutions. Industrial & Engineering Chemistry. doi:10.1021/ie50458a036 (opens in a new tab)
  4. J. A. Barker (1953). Determination of Activity Coefficients from total pressure measurements. Australian Journal of Chemistry. doi:10.1071/ch9530207 (opens in a new tab)
  5. Kazuo Kojima, Hung Man Moon, Kenji Ochi (1990). Thermodynamic consistency test of vapor-liquid equilibrium data. Fluid Phase Equilibria. doi:10.1016/0378-3812(90)85108-m (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": "vle-consistency", "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": "vle-consistency-1", "job_type": "vle-consistency", "resource": "cpu", "payload": { ... }}'
Payload fields and examples in the docs

Fluids & Thermodynamics

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