Thermodynamics Overview

Jasper's thermodynamic engine calculates physical properties required for process simulation.

Capabilities

Property	Method	Status
Heat capacity (Cp)	Polynomial correlation	Implemented
Enthalpy	Integration of Cp	Implemented
Vapor pressure	Antoine equation	Implemented
VLE	Raoult's Law	Implemented
Density	Ideal gas / liquid correlations	Partial

Property Calculation Flow

Component Data (MW, Tc, Pc, Cp coefficients, Antoine coefficients)
         │
         ▼
┌─────────────────┐
│  Heat Capacity  │  →  Cp(T) = a + bT + cT² + dT³
└─────────────────┘
         │
         ▼
┌─────────────────┐
│    Enthalpy     │  →  H(T) = ∫Cp dT + Hf
└─────────────────┘
         │
         ▼
┌─────────────────┐
│ Vapor Pressure  │  →  log(Psat) = A - B/(T+C)
└─────────────────┘
         │
         ▼
┌─────────────────┐
│      VLE        │  →  Ki = Psat,i / P
└─────────────────┘

Assumptions

Current assumptions:

• Ideal gas behavior for vapor phase
• Ideal liquid solutions (Raoult's Law)
• No solid phases

Planned improvements:

• Peng-Robinson equation of state
• NRTL activity coefficient model
• Steam tables (IAPWS-IF97)

Units

All internal calculations use SI units:

Property	Internal Unit
Temperature	K
Pressure	Pa
Flow	mol/s
Enthalpy	J/mol
Heat capacity	J/(mol·K)