MCP For Claude Marketplace
Thermodynamics Calculator

Thermodynamics Calculator MCP Connector for Claude

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Calculate enthalpy, entropy, Gibbs free energy, and equilibrium constants for chemical reactions.

4 tools Official Updated Oct 1, 2026 Official Vinkius Partner
More Details Connect to Claude

This MCP server provides a suite of tools to calculate fundamental thermodynamic properties of chemical reactions. It allows users to determine enthalpy changes (ΔH), entropy changes (ΔS), Gibbs free energy (ΔG), and equilibrium constants (K) at specific temperatures. The server accounts for heat capacity and phase transitions to ensure accurate predictions of reaction spontaneity. Use query_reaction_properties to get a full thermodynamic profile, calculate_equilibrium_constant for equilibrium values, get_standard_state_data to look up species properties, and predict_phase_change_impact to evaluate how phase shifts affect reaction spontaneity.

thermodynamicschemistryenthalpyentropyequilibrium

4 tools expose this connector's capabilities to your AI agent.

calculate_equilibrium_constant

Determines the equilibrium constant (K) for a reaction at a specific temperature

get_standard_state_data

Retrieves the standard state data for specific chemical species

predict_phase_change_impact

Evaluates how a phase transition affects the spontaneity of a reaction at a target temperature

query_reaction_properties

Calculates the fundamental thermodynamic changes (ΔH, ΔS, ΔG) for a specific chemical reaction at a given temperature

See how to talk to your AI agent using Thermodynamics Calculator.

Calculate the thermodynamic properties for the reaction 2H2 + O2 -> 2H2O at 298.15 K.

The reaction enthalpy (ΔH) is -571.6 kJ/mol, the entropy change (ΔS) is -133.4 J/mol·K, and the Gibbs free energy (ΔG) is -471.1 kJ/mol, indicating a spontaneous reaction.

What is the equilibrium constant for a reaction with a ΔG of -20000 J/mol at 298.15 K?

The equilibrium constant (K) at 298.15 K is approximately 2.37e+3.

Get the standard state data for H2O.

For H2O: Enthalpy of formation is -285.8 kJ/mol, Entropy is 69.9 J/mol·K, and Heat Capacity is 75.3 J/mol·K.

You can use the `query_reaction_properties` tool. It calculates the Gibbs free energy (ΔG); if the result is less than zero, the reaction is spontaneous.

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