Thermodynamics University Modules

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Last Updated: 06-Apr-2017

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Article ID: 000059707

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aspenONE for Universities

Thermodynamics Modules

Good thermodynamics are fundamental in the understanding of a particular system’s behavior. It is important to know the concepts that drive component behavior and interactions between components in a mixture at different operating conditions. This is the base stone to understand a chemical process and the best way of designing and operating it.

Below you will find a generic Thermodynamics syllabus based on around twenty Thermodynamics syllabi from different universities in North America. Each syllabus topic is mapped to a media tutorial that showcases how to use the AspenTech’s software to obtain, visualize, and use critical information on a chemical process.

AspenTech Software Used:

Aspen Plus V8.6

Prerequisites

For first time users, or if you need a refresher, please review the following module to become familiar with the Aspen Plus Graphical User Interface and learn how to set up a simulation.

Getting Started with Aspen Plus

Generic Syllabus	Module	Module Description
1. Basic Concepts
1.1. Properties of Pure Components	Pure Component Properties	This module is a basic introduction to Aspen Plus (and Aspen Properties). We will navigate Aspen Plus and review Thermodynamic (Temperature dependent and scalar) properties, transport properties, and how properties are expressed in the software. We will briefly cover the parameters required for a simulation.
	Steam Tables in Aspen Plus V8.6	This module shows how to access and interpret thermodynamic data in Steam Tables. Steam Tables are commonly used by engineers and scientists in design and operation of equipment involving pure water or steam. Additionally, we will also learn how to look up information of interest from Steam Tables in Aspen Plus and quickly tabulate the results.
1.2. NIST / Thermo Data Engine	NIST Thermo Data Engine	In this lesson we will have an overview of NIST Thermodata Engine (TDE), a massive database and property-evaluation software integrated into Aspen Plus. In this lesson we will learn how to perform property evaluation, retrieve experimental data and parameters from this database, and explain additional utilities that can help the user determine the quality of the available experimental data.
	Binary Mixture Properties from NIST Thermo Data Engine	In this lesson we will learn how to use NIST TDE to retrieve and review experimental binary mixture data. The data can then be saved to the case file and used in data regression to optimize the binary parameters for the property model(s) of interest. TDE contains essentially all measured thermo physical property data of organic compounds known to date, which is useful for process design and development.
1.3. Regression	Property Method Evaluation and Tuning	This module illustrates the important role of experimental thermodynamic data in validating and developing property models. We will compare the ideal, Peng-Robinson, and NRTL property methods to experimental data in an azeotropic system. We will also use data regression to tune the binary parameters to improve Peng-Robinson results.
1.4. Property Estimations	Create Your Own Component Pt.1: Drawing Your Component	This module shows how to introduce a user-defined (ad-hoc) component in the simulation. A new compound is drawn in the Molecule Editor. The drawn structure is used by NIST TDE to estimate pure component properties required in the simulation.
	Create Your Own Component Pt.2: Pseudocomponents	This module is a basic introduction to non-library or hypothetical components. A pseudo hydrocarbon component is defined based on molecular weight and average boiling point.
1.5. Zeroth Law/Equilibrium/State of a System	Raoult's Law	Raoult's Law is often used to represent phase equilibria of ideal systems. Liquid vapor pressures of all the components involved are required to calculate K-values. In this module, we will demonstrate how to calculate vapor pressures of a single component using Pure Analysis in Aspen Plus.
2. First Law of Thermodynamics
2.1. Isenthalpic Process	Adiabatic Expansion and the Joule Thomson Effect	This module demonstrates isenthalpic expansion. A Joule-Thomson expansion will be created in the simulation environment along with a PH flash to demonstrate this concept.
2.2. Enthalpy	Heat of Vaporization	This module will review the concept of enthalpy. We find the heat of vaporization of Benzene using Pure Analysis to demonstrate how to set up and interpret enthalpy calculations in Aspen Plus.
2.3. Heat Capacity	Heat Capacity of Solids, Liquids, and Gases	We will learn how to find the heat capacity of Benzene using Pure Analysis in Aspen Plus. We will show you how to produce the heat capacity for the solid, liquid, and gas phases as a function of temperature.
3. Entropy & Second Law of Thermodynamics
3.1. Entropy Balances and Reversibility	See Module 2.1 "Adiabatic Expansion and the Joule Thomson Effect"
3.2. Engines	Simulation of Steam Engines	In this module we create a simple steam engine simulation in Aspen Plus. The steam engine will be modeled as a system of pumps, heaters, and turbines. We will observe the thermodynamic properties of water and steam in the various process units.
	Car Engine	This module simulates a combustion engine. The simulation models the combustion reaction, work on a piston, and release of gas through the muffler, and we can observe the operating conditions.
	Refrigeration	In this module we create a vapor-compression refrigeration cycle in the simulation environment. RefProp, a property method developed by the National Institute of Standards and Technology (NIST) specifically for refrigerants, is used in the model. The cooling capacity of a given refrigerant will be analyzed.
4. Equations of State
4.1. Evaluation of Real Properties	Evaluation of Real Properties and the Limitation of the Ideal Gas Law	In this module, we revisit the ideal gas assumptions and their limitations to model real systems accurately. By comparing experimental data of Argon and Carbon Monoxide with the ideal gas model, we will demonstrate when the ideal model is appropriate, introduce the compressibility factor, and demonstrate the need to make 'corrections' to evaluate real properties to achieve more accurate results.
4.2. Compressibility Charts	The Compressibility Factor and Theorem of Corresponding States	This module will introduce the concept of compressibility factor of pure component systems. Since the compressibility factor is not directly calculated by Aspen Plus, we will show a method to produce a compressibility chart using Aspen Plus and Aspen Properties Excel Add-In.
4.3. Equations of State	Introduction to Equations of State Models	In this lesson we examine different equation of state models, their limitations, and the need to select the proper model to produce satisfactory results. We will look at the Peng Robinson (PENG-ROB) and Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) equations of state to demonstrate.
5. Gibbs Free Energy
5.1. Chemical Reaction in Equilibrium	Free energy minimization with RGIBBS	In this lesson, we will introduce the concept of chemical equilibrium by free energy minimization for a system undergoing combustion using the RGIBBS unit operation.
6. Phase Equilibria
6.1. Gibbs Phase Rule	Gibbs Phase Rule and Phase Equilibria	In this example we will apply the Gibbs phase rule to a binary mixture. We will carry out several case studies using Radfrac to show that compositions for top and bottom stages are constant when top and bottom stage temperatures are fixed regardless of changes in other operating conditions and column configurations.
6.2. Flash	Flash Modeling	This module illustrates the features of various types of phase equilibrium calculations available in Aspen Plus.
	Maximum Fill-Up of Propane Tanks	Why are propane tanks filled only to 80-85% of their full capacity? The reason will be revealed in this example. We will show how to set up a simulation to express and solve this problem using Aspen Plus and Excel.
6.3. Vapor-Liquid Equilibrium
6.3.a. VLE Phase Diagrams	Generate VLE Phase Diagrams	You will learn how to generate T-xy and P-xy diagrams using Binary Analysis. We will examine the results and highlight key parts of the phase diagram.
	VLE Phase Diagrams and Non-idealities	In this module, we will revisit the ideal mixture assumption. By comparing experimental data to model-calculated phase equilibria results, we will demonstrate the limit of assuming solutions to be ideal, and how different equations of state correct for non-ideality.
6.3.b. Regression of VLE Data	Regression of Henry's Constant from Vapor-Liquid-Equilibrium Data	You will learn how to use Henry's law to represent Vapor Liquid Equilibrium behavior of a non-condensable component (CO2) in a solvent (water). The Aspen Plus data regression system is used to determine Henry's law constants for CO2 in water using Vapor Liquid Equilibrium data.
6.3.c. Prediction of VLE Data	See module 4.3, "Introduction to Equations of State Models"
6.4 Liquid-Liquid Equilibrium
6.4.a. LLE Phase Diagrams	Ternary Maps and Liquid-Liquid Equilibrium Analysis	In this module we cover the creation and interpretation of ternary maps. Azeotropic behavior is highlighted, along with how to cross distillation boundaries when an azeotrope is present.
6.4.b. Regression of LLE Data	Regression of UNIQUAC Binary Parameters from Liquid-Liquid-Equilibrium Data	This lesson shows how to use the Data Regression System to regress UNIQUAC binary parameters for a two-liquid phase system using binary data retrieved from NIST TDE and experimental ternary data.
6.4.c. Prediction of LLE	Prediction of Liquid-Liquid Equilibrium	Often we have a system operating beyond the temperature range provided by experimental or literature data. In this lesson we will show how to predict Liquid-Liquid Equilibrium behavior of a mixture at conditions of interest using the Property Analysis feature.
6.5. Vapor-Liquid-Liquid Equilibrium
6.5.a. VLLE Phase Diagrams	VLLE Phase Diagrams	In this lesson we will show how to produce a Vapor-Liquid-Liquid Equilibrium diagram using Binary Analysis in Aspen Plus. We will also highlight the key parts of the T-xy, T-xx, and P-xy phase diagrams.
6.5.b. Regression of VLLE Data	Regression of Binary Parameters for a VLLE System	In this lesson, we will show how to fit experimental data from NIST TDE to obtain new binary parameters to represent Vapor-Liquid-Liquid Equilibrium behavior in Aspen Plus.
6.5.c. Prediction of VLLE	See module 6.4.c, "Prediction of Liquid-Liquid Equilibrium"
7. Mixture
7.1. Choosing Thermodynamics Model	Property Methods Assistant	One of the most important decisions to be made in property analysis and process simulation is choosing the appropriate Equation of State or Activity Coefficient Model to use to represent the components and conditions of interest. Aspen Plus provides an interactive Property Methods Assistant tool to assist user in making the selection. This module will illustrate the key features of this tool.
7.2. Retrograde Behavior	Phase Diagrams and Retrograde Behavior	This module demonstrates how to create a PT envelope curve to analyze Liquid-Vapor equilibrium. Retrograde behavior will also be examined, along with its impact upon a process.