pyResToolbox MCP Server

Get critical properties for hydrocarbon components from database.

COMPONENT DATABASE - Access to comprehensive database of critical properties for standard hydrocarbon components and common non-hydrocarbons. Essential for compositional analysis, EOS calculations, and phase behavior modeling.

Parameters:

• component (str, required): Component name. Case-insensitive. Examples: "methane", "C1", "ethane", "C2", "propane", "C3", "n-butane", "nC4", "i-butane", "iC4", "benzene", "toluene", "N2", "CO2", "H2S", "H2O".

• eos (str, optional, default="PR79"): Equation of State model. Options: "PR79", "PR77", "SRK", "RK". PR79 recommended.

Available Components:

• Light Ends: Methane (C1), Ethane (C2), Propane (C3), Butane (C4), Pentane (C5)

• Normal Paraffins: n-C4 through n-C45 (n-butane to n-pentatetracontane)

• Branched Alkanes: iC4 (isobutane), iC5 (isopentane), neoC5 (neopentane)

• Aromatics: Benzene (C6H6), Toluene (C7H8), Xylenes (C8H10)

• Naphthenes: Cyclopentane, Cyclohexane

• Non-Hydrocarbons: N2 (nitrogen), CO2 (carbon dioxide), H2S (hydrogen sulfide), H2O (water)

Properties Returned:

• MW: Molecular weight in lb/lbmol. Example: 16.04 for methane.

• Tc: Critical temperature in °R. Example: 343.0 for methane.

• Pc: Critical pressure in psia. Example: 667.8 for methane.

• Zc: Critical compressibility factor (dimensionless). Example: 0.286 for methane.

• Omega: Acentric factor ω (dimensionless). Example: 0.011 for methane.

• Vcritical: Critical volume in cuft/lbmol. Example: 1.59 for methane.

• Tb: Normal boiling point in °R. Example: 201.6 for methane.

• SG: Specific gravity (dimensionless, relative to water). Example: 0.554 for methane.

EOS Models:

• PR79 (Peng-Robinson 1979): RECOMMENDED. Most widely used, best accuracy. Use for: Most applications, hydrocarbon systems, gas processing.

• PR77 (Peng-Robinson 1977): Original version. Use for: Compatibility, older models.

• SRK (Soave-Redlich-Kwong 1972): Alternative EOS. Use for: Specific applications, comparison.

• RK (Redlich-Kwong 1949): Older EOS. Use for: Historical compatibility, simple systems.

Critical Properties Usage: Critical properties are essential for:

• EOS phase behavior calculations (PR, SRK, RK)

• Flash calculations (bubble point, dew point)

• Phase envelope generation

• Compressibility factor calculations

• Vapor-liquid equilibrium

Applications:

• Compositional Simulation: Input component properties for compositional models

• EOS Phase Behavior: Calculate phase envelopes and phase boundaries

• Flash Calculations: Solve vapor-liquid equilibrium problems

• PVT Modeling: Build compositional PVT models

• Gas Processing Design: Design separation and processing facilities

• Material Balance: Compositional material balance calculations

Source: Industry-standard component database with properties from:

• NIST (National Institute of Standards and Technology)

• API (American Petroleum Institute) data

• EOS calibrations and literature values

Returns: Dictionary with:

• component (str): Component name

• eos_model (str): EOS model used

• properties (dict): All critical properties (MW, Tc, Pc, Zc, Omega, Vcritical, Tb, SG)

• method (str): "Component database lookup"

• note (str): Usage guidance

• inputs (dict): Echo of input parameters

Common Mistakes:

• Component name misspelled (check spelling, try common aliases like "C1" for methane)

• Wrong EOS model (use PR79 unless specific requirement)

• Case sensitivity (component names are case-insensitive, but use standard capitalization)

• Component not in database (check available components list)

• Using properties from wrong EOS (properties are EOS-specific)

Example Usage:

Result: Returns all critical properties for methane calibrated for PR79 EOS.

Note: Component properties are EOS-specific. Always use properties from the same EOS model throughout your calculations. PR79 is recommended for most applications. For components not in database, use external sources or estimate from correlations.