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Measurement and Calculation of Excess Enthalpy with the Isothermal Microcalorimeter

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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  1. 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.

  2. 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.

  3. I. Introduction

  4. 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.

  5. 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.

  6. 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.

  7. Experimental apparatus Thermodynamics and Properties Lab.

  8. Block diagram of IMC Thermodynamics and Properties Lab.

  9. Schematic diagram of flow mixing cell Thermodynamics and Properties Lab.

  10. II. Experiments & Calculations

  11. Procedure Determination T & P I M C Setting I M C Stabilization Total Flow Rate Excess Enthalpy Base Line Thermodynamics and Properties Lab.

  12. Course of HE Calculation • ■ The raw data of experiment with IMC X data : time , Y data : enthalpy Thermodynamics and Properties Lab.

  13. Course of HE Calculation Thermodynamics and Properties Lab.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. NLF-HB Theory ■ Hydrogen Bonding Parameters ▣ Hydrogen bonding parameters for NLF-HB EOS alcohols water Thermodynamics and Properties Lab.

  19. Results & Discussions

  20. 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.

  21. 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.

  22. Results & Discussions Comparison of experimental HE for nonane + 1-butanol at 313.15K ERROR = 2.86 % Thermodynamics and Properties Lab.

  23. Comparison of experimental HE for decane + 1-butanol at 313.15K ERROR = 4.28% Thermodynamics and Properties Lab.

  24. Results & Discussions Comparison of experimental HE for octane + 1-butanol at 313.15K ERROR = 4.03% Thermodynamics and Properties Lab.

  25. III. Conclusion

  26. 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.

  27. ■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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