Class AmineHeatOfAbsorption

java.lang.Object
neqsim.thermo.util.amines.AmineHeatOfAbsorption
All Implemented Interfaces:
Serializable
public class AmineHeatOfAbsorption extends Object implements Serializable
Calculates the heat of absorption for CO2 and H2S in aqueous amine solutions.

Provides correlations for the exothermic heat released when acid gases (CO2, H2S) are absorbed into amine solutions. The heat of absorption depends on the amine type, temperature, CO2 loading, and amine concentration.

References:

  • Kim, I., Svendsen, H.F. (2007). Heat of Absorption of Carbon Dioxide (CO2) in Monoethanolamine (MEA) and 2-(Aminoethyl)ethanolamine (AEEA) Solutions. Ind. Eng. Chem. Res., 46, 5803-5809.
  • Carson, J.K., Marsh, K.N., Mather, A.E. (2000). Enthalpy of solution of carbon dioxide in (water + MEA or DEA or MDEA) and (water + MEA + MDEA) at T = 298.15 K. J. Chem. Thermodyn., 32, 1285-1296.
  • Arcis, H., Rodier, L., Coxam, J.Y. (2007). Enthalpy of solution of CO2 in aqueous solutions of MDEA at T = 322.5 K and pressures up to 5 MPa. J. Chem. Thermodyn., 39, 878-887.
Version:
1.0
Author:
Even Solbraa
See Also:

  • Field Details

    • serialVersionUID

      private static final long serialVersionUID
      Serialization version UID.
      See Also:

    • amineType

      private AmineHeatOfAbsorption.AmineType amineType

    • amineConcentration

      private double amineConcentration

    • co2Loading

      private double co2Loading

    • temperature

      private double temperature

  • Constructor Details

    • AmineHeatOfAbsorption

      public AmineHeatOfAbsorption()
      Constructor for AmineHeatOfAbsorption.

    • AmineHeatOfAbsorption

      public AmineHeatOfAbsorption(AmineHeatOfAbsorption.AmineType amineType, double amineConcentration, double co2Loading, double temperatureK)
      Constructor for AmineHeatOfAbsorption with parameters.
      Parameters:
      amineType - the type of amine
      amineConcentration - mass fraction of amine in solution (0 to 1)
      co2Loading - CO2 loading in mol CO2 / mol amine
      temperatureK - temperature in Kelvin

  • Method Details

    • calcHeatOfAbsorptionCO2

      public double calcHeatOfAbsorptionCO2()
      Calculates the differential heat of absorption of CO2 in kJ/mol CO2.

      The differential heat of absorption is the enthalpy change per mole of CO2 absorbed at a given loading. This is negative (exothermic) for all amine types.

      Returns:
      heat of absorption in kJ/mol CO2 (negative for exothermic)

    • calcTotalHeatReleased

      public double calcTotalHeatReleased()
      Calculates the integral (total) heat released when absorbing CO2 to the current loading.
      Returns:
      total heat released in kJ per mol amine (positive = heat released)

    • calcHeatOfAbsorptionH2S

      public double calcHeatOfAbsorptionH2S()
      Calculates the heat of absorption of H2S in kJ/mol H2S.

      H2S absorption is less exothermic than CO2 for all amine types. The heat is primarily from the H2S ionization reaction.

      Returns:
      heat of absorption in kJ/mol H2S (negative for exothermic)

    • calcMEAHeatOfAbsorption

      private double calcMEAHeatOfAbsorption()
      Calculates the heat of absorption of CO2 in MEA solution.

      Uses the Kim and Svendsen (2007) correlation for 30 wt% MEA, with corrections for concentration and loading effects. MEA absorbs CO2 through both carbamate formation (fast, exothermic) at low loadings and bicarbonate formation at higher loadings.

      Returns:
      heat of absorption in kJ/mol CO2 (negative for exothermic)

    • calcDEAHeatOfAbsorption

      private double calcDEAHeatOfAbsorption()
      Calculates the heat of absorption of CO2 in DEA solution.

      DEA forms both carbamate and protonated species. Heat is intermediate between MEA and MDEA. Based on Carson et al. (2000) measurements.

      Returns:
      heat of absorption in kJ/mol CO2 (negative for exothermic)

    • calcMDEAHeatOfAbsorption

      private double calcMDEAHeatOfAbsorption()
      Calculates the heat of absorption of CO2 in MDEA solution.

      MDEA is a tertiary amine: no carbamate formation. CO2 reacts only via the base-catalyzed hydration mechanism, resulting in lower heat of absorption compared to primary/secondary amines. Based on Arcis et al. (2007) and Carson et al. (2000).

      Returns:
      heat of absorption in kJ/mol CO2 (negative for exothermic)

    • calcAMDEAHeatOfAbsorption

      private double calcAMDEAHeatOfAbsorption()
      Calculates the heat of absorption of CO2 in activated MDEA (aMDEA) solution.

      Activated MDEA blends MDEA with piperazine (PZ). The piperazine provides fast kinetics through carbamate formation while MDEA provides high capacity. The heat of absorption is intermediate between MEA and MDEA, depending on the PZ/MDEA ratio.

      Returns:
      heat of absorption in kJ/mol CO2 (negative for exothermic)

    • getAbsorptionProperties

      public Map<String,Double> getAbsorptionProperties()
      Generates a summary map of absorption properties for the current conditions.
      Returns:
      map containing key-value pairs of absorption properties

    • setAmineType

      public void setAmineType(AmineHeatOfAbsorption.AmineType amineType)
      Sets the amine type.
      Parameters:
      amineType - the amine type to set

    • getAmineType

      public AmineHeatOfAbsorption.AmineType getAmineType()
      Gets the amine type.
      Returns:
      the current amine type

    • setAmineConcentration

      public void setAmineConcentration(double amineConcentration)
      Sets the amine concentration as mass fraction.
      Parameters:
      amineConcentration - mass fraction (0 to 1, e.g., 0.30 for 30 wt%)

    • getAmineConcentration

      public double getAmineConcentration()
      Gets the amine concentration as mass fraction.
      Returns:
      mass fraction of amine

    • setCO2Loading

      public void setCO2Loading(double co2Loading)
      Sets the CO2 loading in mol CO2 per mol amine.
      Parameters:
      co2Loading - the CO2 loading (dimensionless)

    • getCO2Loading

      public double getCO2Loading()
      Gets the CO2 loading.
      Returns:
      CO2 loading in mol CO2 / mol amine

    • setTemperature

      public void setTemperature(double temperatureK)
      Sets the temperature in Kelvin.
      Parameters:
      temperatureK - temperature in Kelvin

    • getTemperature

      public double getTemperature()
      Gets the temperature in Kelvin.
      Returns:
      temperature in Kelvin