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Measurement and Calculation of Excess Enthalpy with the Isothermal Microcalorimeter. Kwon, Jung Hun Thermodynamics and Properties Lab. Dept. of Chemical and Biological Engineering, Korea Univ. CONTENTS. I. Introduction ① The Object of Study

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Measurement and Calculation of Excess Enthalpy with the Isothermal Microcalorimeter

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Measurement and calculation of excess enthalpy with the isothermal microcalorimeter l.jpg

Measurement and Calculation of Excess Enthalpy with the Isothermal Microcalorimeter

Kwon, Jung Hun

Thermodynamics and Properties Lab.

Dept. of Chemical and Biological Engineering, Korea Univ.


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CONTENTS

I. Introduction

① The Object of Study

② Types of Calorimeter

③ Apparatus of IMC

II. Experiments & Calculations

① Procedure

② Course of HE Calculation

③ Theory : NLF-HB

④ Results & Discussions

III. Conclusion

Thermodynamics and Properties Lab.


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I. Introduction


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The Object of Study

■ The Needs of Excess Enthalpy

► Excess enthalpy data of binary mixture are important in

understanding the nature of interactions between the molecules.

► Excess enthalpy data plays an important role in chemical

engineering process design and operation.

Thermodynamics and Properties Lab.


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Types of Calorimeter

  • ■ Three types of calorimeter

  • : batch calorimeter, displacement calorimeter, flow calorimeter

  • ► flow calorimeter

  • ① To make measurements over a wide range of

  • pressure and temperature conditions

  • ② The measurements of the excess enthalpy can

  • be made for gases as well as liquids

  • ③ To require large amounts of chemicals

Thermodynamics and Properties Lab.


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Apparatus

► Model CSC 4400 (Calorimetry Sciences Corporation)

■ Pump : a set of HPLC pump ( Model Acuflow Series II )

Accuracy of flow rate :  2%

■ Auxiliary equipments

► Air bath

► Back pressure regulator

► Control gas : compressed helium gas

► Circulator ( constant temperature )

■Isothermal Microcalorimeter ( IMC )

Thermodynamics and Properties Lab.


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Experimental apparatus

Thermodynamics and Properties Lab.


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Block diagram of IMC

Thermodynamics and Properties Lab.


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Schematic diagram of flow mixing cell

Thermodynamics and Properties Lab.


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II. Experiments & Calculations


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Procedure

Determination

T & P

I M C

Setting

I M C

Stabilization

Total

Flow Rate

Excess

Enthalpy

Base Line

Thermodynamics and Properties Lab.


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Course of HE Calculation

  • ■ The raw data of experiment with IMC

X data : time , Y data : enthalpy

Thermodynamics and Properties Lab.


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Course of HE Calculation

Thermodynamics and Properties Lab.


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NLF-HB Theory

  • ▪ Assumption : consideration of hole’ non-randomness

  • Configurational partition function (Ωc)

  • Helmholtz Free Energy(Ac) derivation

  • Nonrandom Lattice Fluid Theory Eos

  • Chemical potential , Fugacity

  • application

  • • Equilibria of vapor-liquid,vapor-solid,liquid-liquid phase,

  • and Multiphase equilibria including UCST behaviors

  • • Heat of mixing non polar- non polar, non polar- polar, polar

  • - polar binary mixtures of simple and complex molecules

Thermodynamics and Properties Lab.


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NLF-HB Theory

  • ■ Configurational partition function (Ωc)

  • ▪ Physical term

▪ PHYS : [ Physical term ]… You et al. (1994)

▪ HB: [ Chemical term ] … Extension of Veytsman statistics (Park et al. 2001)

Thermodynamics and Properties Lab.


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NLF-HB Theory

▪ Hydrogen bonding term

▣ Connection of thermodynamic function with configurational function

▣ The molar configurational internal energy for mixture

▣Expression of excess enthalpy

Thermodynamics and Properties Lab.


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NLF-HB Theory

  • ■Physical Parameters

  • ① Coordination number : z=10

  • ② Lattice volume : VH = 9.75 cm3/mol

  • ③ Pure parameters (ri, ii) :

  • ④ Binary parameter (ij) :

Thermodynamics and Properties Lab.


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NLF-HB Theory

■ Hydrogen Bonding Parameters

Hydrogen bonding parameters for NLF-HB EOS

alcohols

water

Thermodynamics and Properties Lab.


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Results & Discussions


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Results & Discussions

  • Comparison of experimental HE for decane + ethanol

  • (1) 313.15K DATA ERROR = 0.88 %

  • (2) 298.15K DATA ERROR = 3.21 %

  • Thermodynamics and Properties Lab.


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    Results & Discussions

    Comparison of experimental HE

    for octane + ethanol at 313.15K

    ERROR = 2.47%

    Comparison of experimental HE

    for nonane + ethanol at 313.15K

    ERROR = 3.00%

    Thermodynamics and Properties Lab.


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    Results & Discussions

    Comparison of experimental HE for nonane + 1-butanol at 313.15K

    ERROR = 2.86 %

    Thermodynamics and Properties Lab.


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    Comparison of experimental HE

    for decane + 1-butanol at 313.15K

    ERROR = 4.28%

    Thermodynamics and Properties Lab.


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    Results & Discussions

    Comparison of experimental HE for octane + 1-butanol at 313.15K

    ERROR = 4.03%

    Thermodynamics and Properties Lab.


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    III. Conclusion


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    Conclusion

    • 1. Excess enthalpies for the various systems were measured

    • with the isothermal microcalorimeter at 298.15K and

    • 313.15K.

    • 2. Experimental data were compared with calculated results

    • using NLF-HB EOS.

    • 3. The relative error for each system was within 5%.

    • 4. The NLF-HB EOS is applied to binary mixtures of water ,

    • alcohol, alkane, acid , and amine, etc …

    Thermodynamics and Properties Lab.


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    ■Future■

    • ▪ Systems : alcohol, alkane, amine, water, …

    • ▪ The simultaneous representation of VLE and excess enthalpy

    • ▪ The calculation of excess enthalpy using SAFT model

    Thermodynamics and Properties Lab.


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