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Applications of Thermodynamic Models

Thermodynamic models are essential in chemical engineering for predicting phase equilibria and designing processes, with five key models discussed: UNIQUAC, UNIFAC, SRK, Peng-Robinson, and NRTL. Each model has unique attributes and applications, such as UNIQUAC and UNIFAC for non-ideal liquid systems, and SRK and Peng-Robinson for hydrocarbons and gas-phase systems. Understanding these models enhances process efficiency and economic outcomes in various industrial applications.

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10 views4 pages

Applications of Thermodynamic Models

Thermodynamic models are essential in chemical engineering for predicting phase equilibria and designing processes, with five key models discussed: UNIQUAC, UNIFAC, SRK, Peng-Robinson, and NRTL. Each model has unique attributes and applications, such as UNIQUAC and UNIFAC for non-ideal liquid systems, and SRK and Peng-Robinson for hydrocarbons and gas-phase systems. Understanding these models enhances process efficiency and economic outcomes in various industrial applications.

Uploaded by

kaleem ullah
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© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
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Properties and Uses of Thermodynamic Models

1. Introduction to Thermodynamic Models

Thermodynamic models are vital tools in chemical engineering for forecasting phase
equilibria, thermodynamic properties, and process dynamics. These models facilitate the
design of separation processes, reactors, and refining operations. The selection of a model
hinges on system characteristics, component interactions, and desired precision. This
assignment explores five key models—UNIQUAC, UNIFAC, SRK, Peng-Robinson, and
NRTL—detailing their attributes and industrial relevance.

2. UNIQUAC Model

Characteristics and Uses


The Universal Quasi-Chemical (UNIQUAC) Model calculates activity coefficients in liquid
mixtures by evaluating molecular size disparities and interaction energies through
combinatorial and residual terms.

Key Attributes:

• Integrates entropic (size-based) and enthalpic (energy-based) factors.

• Effective for non-ideal mixtures.

• Relies on binary interaction parameters derived from experimental data.

• Delivers precise vapor-liquid (VLE) and liquid-liquid (LLE) equilibrium predictions.

Industrial Applications:

• Distillation and liquid-liquid extraction processes.

• Handling highly non-ideal mixtures in chemical manufacturing.

• Identifying azeotropic points in multicomponent systems.

3. UNIFAC Model

Characteristics and Uses


The UNIQUAC Functional-group Activity Coefficients (UNIFAC) Model extends UNIQUAC
by estimating activity coefficients using functional group contributions instead of molecular
data.
Key Attributes:

• Predicts phase equilibria without extensive experimental input.

• Breaks molecules into functional groups to approximate interactions.

• Versatile for diverse chemical systems with limited data.

Industrial Applications:

• Solvent selection in separation technologies.

• Environmental engineering for pollutant phase behavior analysis.

• Designing liquid-liquid extraction and distillation units.

4. SRK Equation of State

Characteristics and Uses


The Soave-Redlich-Kwong (SRK) Equation of State refines the Redlich-Kwong model to
enhance vapor-liquid equilibrium (VLE) accuracy.

Key Attributes:

• Incorporates temperature-dependent attraction parameters.

• Reliable for non-polar and mildly polar substances (e.g., hydrocarbons).

• Limited accuracy for highly polar or hydrogen-bonding compounds.

Industrial Applications:

• Petroleum refining and natural gas processing.

• Designing flash drums and distillation columns.

• Modeling gas-phase systems in hydrocarbon industries.

5. Peng-Robinson Equation of State

Characteristics and Uses


The Peng-Robinson (PR) Equation of State improves phase behavior predictions,
particularly for hydrocarbons and polar systems.
Key Attributes:

• Superior liquid density estimates compared to SRK.

• Applicable across broad temperature and pressure ranges.

• Enhanced attraction parameter for precise VLE modeling.

Industrial Applications:

• Reservoir simulations in oil and gas sectors.

• Refinery process optimization.

• Supercritical fluid applications (e.g., CO₂ extraction).

6. NRTL Model

Characteristics and Uses


The Non-Random Two-Liquid (NRTL) Model addresses non-random molecular interactions
in highly non-ideal liquid mixtures.

Key Attributes:

• Suitable for VLE and LLE predictions.

• Requires binary interaction parameters.

• Captures strong intermolecular forces (e.g., hydrogen bonding).

Industrial Applications:

• Azeotropic distillation and liquid-liquid extraction.

• Modeling alcohol-water and acid-base mixtures.

• Formulating phase separation strategies.


7. Model Comparison

Model Type Distinctive Features Optimal Use Cases

Activity Molecular size and energy


UNIQUAC Non-ideal liquid mixtures
Coefficient balance

Group Functional group-based


UNIFAC Mixtures with scarce data
Contribution predictions

Improved VLE for Gas processing & petroleum


SRK Equation of State
hydrocarbons systems

Peng- Enhanced density and phase Hydrocarbon and polar


Equation of State
Robinson accuracy systems

Activity Non-random interaction


NRTL Highly non-ideal mixtures
Coefficient modeling

8. Summary

Thermodynamic models are indispensable for phase equilibria prediction, process design,
and industrial optimization. Model selection depends on system complexity, data
availability, and precision needs. UNIQUAC and UNIFAC excel in non-ideal liquid systems,
while SRK and Peng-Robinson dominate hydrocarbon and gas-phase applications. NRTL is
ideal for mixtures with pronounced non-ideality. Mastery of these models empowers
engineers to boost process efficiency and economic outcomes.

9. References

• Smith, J. M., Van Ness, H. C., & Abbott, M. M. (2021). Introduction to Chemical
Engineering Thermodynamics. McGraw-Hill.
• Soave, G. (1972). Equilibrium Constants from a Modified Redlich-Kwong Equation of
State. Chemical Engineering Science, 27(6), 1197-1203.
• Peng, D. Y., & Robinson, D. B. (1976). A New Two-Constant Equation of State.
Industrial & Engineering Chemistry Fundamentals, 15(1), 59-64.
• Renon, H., & Prausnitz, J. M. (1968). Local Compositions in Thermodynamic Excess
Functions for Liquid Mixtures. AIChE Journal, 14(1), 135-144.

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