Class ThermodynamicProperties

java.lang.Object

org.episteme.natural.physics.classical.thermodynamics.ThermodynamicProperties

public class ThermodynamicProperties
extends Object

Thermodynamic property calculations.

Since:

1.0

Author:

Silvere Martin-Michiellot, Gemini AI (Google DeepMind)

Field Summary

Fields

Modifier and Type	Field	Description
static final Real	R_CAL	Gas constant R in cal/(mol·K)
static final Real	R_J	Gas constant R in J/(mol·K)
static final Real	R_KJ	Gas constant R in kJ/(mol·K)

Constructor Summary

Constructors

Constructor	Description
ThermodynamicProperties()

Method Summary

Modifier and Type	Method	Description
static Real	equilibriumConstant(Real deltaG, Real T)	Equilibrium constant from Gibbs energy.
static Real	equilibriumTemperature(Real deltaH, Real deltaS)	Equilibrium temperature T_eq = ΔH / ΔS
static Real	gibbsEnergy(Real deltaH, Real deltaS, Real T)	Calculates Gibbs free energy change.
static Real	gibbsFromK(Real K, Real T)	Gibbs energy from equilibrium constant.
static Real	heatTransfer(Real n, Real Cp, Real deltaT)	Heat transfer q = n·Cp·ΔT
static boolean	isSpontaneous(Real deltaG)	Returns true if spontaneous (ΔG invalid input: '<' 0)
static Real	reactionEnthalpy(Real[] productFormH, int[] productCoeff, Real[] reactantFormH, int[] reactantCoeff)	Standard enthalpy of reaction from formation enthalpies
static Real	reactionQuotient(Real[] productConc, int[] productCoeff, Real[] reactantConc, int[] reactantCoeff)	Reaction quotient Q = [products]^ν / [reactants]^ν
static Real	vantHoff(Real K1, Real T1, Real T2, Real deltaH)	Van't Hoff equation: K2 = K1 * exp(-ΔH/R * (1/T2 - 1/T1))

Methods inherited from class Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Details

R_J

public static final Real R_J

Gas constant R in J/(mol·K)

R_KJ

public static final Real R_KJ

Gas constant R in kJ/(mol·K)

R_CAL

public static final Real R_CAL

Gas constant R in cal/(mol·K)

Constructor Details

ThermodynamicProperties

public ThermodynamicProperties()

Method Details

gibbsEnergy

public static Real gibbsEnergy(Real deltaH,
 Real deltaS,
 Real T)

Calculates Gibbs free energy change. ΔG = ΔH - T·ΔS

Parameters:

deltaH - Enthalpy change (kJ/mol)

deltaS - Entropy change (J/mol·K)

T - Temperature (K)

Returns:

ΔG in kJ/mol

equilibriumConstant

public static Real equilibriumConstant(Real deltaG,
 Real T)

Equilibrium constant from Gibbs energy. K = exp(-ΔG°/(R·T))

gibbsFromK

public static Real gibbsFromK(Real K,
 Real T)

Gibbs energy from equilibrium constant. ΔG° = -R·T·ln(K)

reactionQuotient

public static Real reactionQuotient(Real[] productConc,
 int[] productCoeff,
 Real[] reactantConc,
 int[] reactantCoeff)

Reaction quotient Q = [products]^ν / [reactants]^ν

isSpontaneous

public static boolean isSpontaneous(Real deltaG)

Returns true if spontaneous (ΔG invalid input: '<' 0)

equilibriumTemperature

public static Real equilibriumTemperature(Real deltaH,
 Real deltaS)

Equilibrium temperature T_eq = ΔH / ΔS

vantHoff

public static Real vantHoff(Real K1,
 Real T1,
 Real T2,
 Real deltaH)

Van't Hoff equation: K2 = K1 * exp(-ΔH/R * (1/T2 - 1/T1))

heatTransfer

public static Real heatTransfer(Real n,
 Real Cp,
 Real deltaT)

Heat transfer q = n·Cp·ΔT

reactionEnthalpy

public static Real reactionEnthalpy(Real[] productFormH,
 int[] productCoeff,
 Real[] reactantFormH,
 int[] reactantCoeff)

Standard enthalpy of reaction from formation enthalpies