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MoziChem-MCP

component_eos_roots_analysis

Analyzes the roots of the equation of state (EOS) for a specified chemical component at given temperature and pressure, using models like SRK or PR to assess thermodynamic properties.

Instructions

This function analyzes the roots of the EOS for a given component at specified temperature and pressure.

Input Schema

NameRequiredDescriptionDefault
componentYesComponent name and properties
eos_modelNoEOS model to use, e.g., 'SRK', 'PR'SRK
pressureYesPressure of the system
temperatureYesTemperature of the system

Input Schema (JSON Schema)

{ "$defs": { "Component": { "description": "Component model for input validation", "properties": { "formula": { "description": "Chemical formula of the component", "title": "Formula", "type": "string" }, "mole_fraction": { "default": 1, "description": "Mole fraction of the component in a mixture, if applicable", "title": "Mole Fraction", "type": "number" }, "name": { "description": "Name of the component", "title": "Name", "type": "string" }, "state": { "description": "State of the component: 'g' for gas, 'l' for liquid, 's' for solid", "enum": [ "g", "l", "s" ], "title": "State", "type": "string" } }, "required": [ "name", "formula", "state" ], "title": "Component", "type": "object" }, "Pressure": { "description": "Pressure model for input validation", "properties": { "unit": { "description": "Pressure unit, e.g., 'bar', 'atm', 'Pa'", "title": "Unit", "type": "string" }, "value": { "description": "Pressure value", "title": "Value", "type": "number" } }, "required": [ "value", "unit" ], "title": "Pressure", "type": "object" }, "Temperature": { "description": "Temperature model for input validation", "properties": { "unit": { "description": "Temperature unit, e.g., 'K', 'C', 'F'", "title": "Unit", "type": "string" }, "value": { "description": "Temperature value", "title": "Value", "type": "number" } }, "required": [ "value", "unit" ], "title": "Temperature", "type": "object" } }, "properties": { "component": { "$ref": "#/$defs/Component", "description": "Component name and properties", "title": "Component" }, "eos_model": { "default": "SRK", "description": "EOS model to use, e.g., 'SRK', 'PR'", "enum": [ "PR", "SRK", "RK", "vdW" ], "title": "Eos Model", "type": "string" }, "pressure": { "$ref": "#/$defs/Pressure", "description": "Pressure of the system", "title": "Pressure" }, "temperature": { "$ref": "#/$defs/Temperature", "description": "Temperature of the system", "title": "Temperature" } }, "required": [ "component", "temperature", "pressure" ], "type": "object" }

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