PetroCalcHub

Original synthetic study

Same feed two equations of state a reproducible comparison

This reproducible PR–SRK study uses one six-component feed and identical numerical state inputs. It reports model differences and balance diagnostics without declaring either EOS more accurate for an unmeasured fluid.

By PetroCalcHub Team · Updated October 24, 2026 · Free to read and use

Specify the experiment completely

Both models use methane through n-hexane, the same feed fractions, the same pinned pure-component data and kij = 0. Pressure is fixed while recorded temperatures change.

Every row is a solved equilibrium state from the site's engines. The downloadable data distinguish PR and SRK outputs rather than combining them into one averaged prediction.

Compare amount and density separately

Vapor mole fraction is sensitive to phase equilibrium, while phase densities also reflect the EOS volume prediction. Agreement in one output need not imply agreement in the others.

The graph emphasizes vapor amount; the full recorded dataset retains the associated inputs and diagnostics for reproducibility.

Explain the evidence limit

An independent implementation can check equation consistency, and measured PVT data can assess fluid accuracy. This synthetic sweep does neither by itself merely because two models are plotted.

Use the accompanying method lesson for selection criteria. The study's distinct contribution is the original controlled dataset and its replay path.

Explore the example

Recorded using both supported compositional flash engines. Independent thermo reference fixtures are separately checked by the repository's compositional regression suite.

280

Select one of 5 recorded scenarios. Intermediate states are not interpolated.

Selected scenario

Temperature (K) = 280. PR vapor mole fraction: 0.657564116; SRK vapor mole fraction: 0.658742945.

Selected result00.4220.843240280320Scenario input
  • PR vapor mole fraction
  • SRK vapor mole fraction
PR vapor mole fraction versus Temperature (K). Green marks the selected row. Lines connect recorded points for orientation; exact solved values are tabulated below.

Worked example

PR and SRK on an identical six-component feed

p = 2 MPa(a); methane/ethane/propane/n-butane/n-pentane/n-hexane mole fractions 0.50/0.15/0.15/0.10/0.05/0.05. CoolProp 8, kij = 0; only T changes.

Relation and unit basis

zi = (1 − β)xi + βyi; fi,liquid = fi,vapor

β is vapor mole fraction. Both models use the same pure-component constants and numerical state inputs.

  1. 1. Define the baseline

    Temperature (K) = 280

    p = 2 MPa(a); methane/ethane/propane/n-butane/n-pentane/n-hexane mole fractions 0.50/0.15/0.15/0.10/0.05/0.05. CoolProp 8, kij = 0; only T changes.

  2. 2. Select the relation

    zi = (1 − β)xi + βyi; fi,liquid = fi,vapor

    β is vapor mole fraction. Both models use the same pure-component constants and numerical state inputs.

  3. 3. Substitute the values

    At 280 K and 2 MPa: PR β = 0.657564116; SRK β = 0.658742945; the complete component balances and fugacity diagnostics are saved with each solve.

    Retain intermediate precision. The displayed values are rounded only after evaluation.

  4. 4. Read the result

    PR vapor mole fraction = 0.657564116; SRK vapor mole fraction = 0.658742945

    These are model differences, not measured errors or an accuracy ranking.

Result and interpretation

PR vapor mole fraction = 0.657564116; SRK vapor mole fraction = 0.658742945

These are model differences, not measured errors or an accuracy ranking.

The plotted difference is a model sensitivity under shared assumptions, with no experimental accuracy ranking.

Study data and reproduction

Recorded using both supported compositional flash engines. Independent thermo reference fixtures are separately checked by the repository's compositional regression suite.

Exact recorded values for PR and SRK on an identical six-component feed. Units are included in the headers.
Temperature (K)PR vapor mole fractionSRK vapor mole fraction
2400.4828540.4870871
2600.56916580.5715311
2800.65756410.6587429
3000.74965290.749951
3200.84345810.8429687

Scroll the table to see all columns. The highlighted row is the worked baseline. Downloads retain full numerical precision.

Test your understanding

Work through the question before revealing its answer. Use the stated assumptions and include units in every numerical step.

  1. 1. What additional evidence is needed to call PR or SRK more accurate for a sample?

    Show the worked answer

    Suitable independent PVT measurements at compatible states and a documented comparison of their residuals.

  2. 2. Reproduce the baseline PR vapor mole fraction without rounding intermediate values.

    Show the worked answer

    At 280 K and 2 MPa: PR β = 0.657564116; SRK β = 0.658742945; the complete component balances and fugacity diagnostics are saved with each solve.. PR vapor mole fraction = 0.657564116. These are model differences, not measured errors or an accuracy ranking.

  3. 3. Compare the first and last recorded scenarios. Which input changes?

    Show the worked answer

    Temperature (K) changes from 240 to 320. Other controls remain as stated in the premise. PR vapor mole fraction changes from 0.482854017 to 0.843458076.

  4. 4. What would be needed to apply this example to a different physical system?

    Show the worked answer

    Replace the synthetic controls with compatible documented inputs and check the relation's assumptions. β is vapor mole fraction. Both models use the same pure-component constants and numerical state inputs. These are model differences, not measured errors or an accuracy ranking.

Before using the result

  • Use identical feed and states.
  • Record engine version and kij.
  • Keep model difference distinct from measured error.

These are model differences, not measured errors or an accuracy ranking.

Continue in the calculator with your documented inputs →

Continue learning

Start with the broader workflow guide

Sources and method

The explanation and synthetic examples are original PetroCalcHub teaching material. The references below support the definitions and model context. They do not supply field validation for the synthetic scenarios.

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