neqsim-fluid-quality-check

Fluid Quality Check

Use this skill to check whether a public fluid composition is well-formed before it is used in examples, notebooks, or NeqSim simulations.

When to Use

• When a task includes a gas, oil, condensate, or synthetic composition table.
• When mole fractions should sum close to 1.0 before simulation.
• When an agent should flag negative fractions, missing required components, water, CO2, or H2S.
• When composition validation must avoid confidential or proprietary data.

Inputs

• composition: mapping of component name to mole fraction.
• required_components: optional sequence of components that must be present.
• tolerance: acceptable absolute deviation from a total mole fraction of 1.0.

Outputs

• total_fraction: sum of all fractions.
• total_within_tolerance: whether the total is close to 1.0.
• negative_components: components with negative fractions.
• missing_components: required components absent from the composition.
• flagged_components: values for water, CO2, and H2S when present.
• warnings: human-readable quality messages.
• is_usable: true only when no blocking quality issue is found.

Engineering Method

The checker performs transparent public data-quality checks only. It does not estimate missing components, tune an equation of state, characterize plus fractions, regress binary interaction parameters, or validate laboratory procedures.

Python Usage Pattern

from fluid_quality_check import FluidQualityChecker

composition = {
    "methane": 0.82,
    "ethane": 0.08,
    "propane": 0.04,
    "CO2": 0.03,
    "water": 0.03,
}

checker = FluidQualityChecker(required_components=("methane", "ethane", "propane"))
result = checker.check(composition)

print(result.is_usable)
print(result.warnings)

If the optional neqsim Python package is available, the result records that fact so an agent can proceed to NeqSim-specific setup checks. If not, the quality checks still run.

Validation Checklist