How to chose the best property prediction method for simulation ?

Slides:



Advertisements
Similar presentations
DIP_10.ppt p. 1 Diseño Integrado de Procesos (Simulador) DIP 10.ppt Separation of a mixture of methanol + water Property Method Selection Model parameters.
Advertisements

SELECTING THERMODYNAMIC PROPERTY METHODS
Balances M&E Rutinas operaciones Diseño de Equipos SIMULACIÓN Equilibrio Fases Reacción Propiedades Termodinámicas CÁLCULO PROPIEDADES Propiedades Transporte.
#476 – Experiences with CAPE-OPEN Interfaces
Equipment Design and Costs for Separating Homogeneous Mixtures.
Aspen Tutorial Terry A. Ring ChEN 4253.
CHEN 4460 – Process Synthesis, Simulation and Optimization Dr. Mario Richard Eden Department of Chemical Engineering Auburn University Lab Lecture No.
Thermodynamic Property Methods
Property Methods In Aspen Plus
Goal 1: Design a flash drum
Vapor and Liquid Equilibrium
An equation of state is a relation between state variables It is a thermodynamic equation describing the state of matter under a given set of physical.
Chem. Eng. Thermodynamics (TKK-2137) 14/15 Semester 3 Instructor: Rama Oktavian Office Hr.: M.13-15, Tu , W ,
Liquid-Liquid Equilibrium
Separation of Water and Alcohols using 1-hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide 1 Alexandre Chapeaux, Luke D. Simoni, Mark A. Stadtherr,
FLOWSHEETING PACKAGES: RELIABLE OR FICTITIOUS PROCESS MODELS? F. Benyahia Department of Chemical and Petroleum Engineering College of Engineering United.
Solution Thermodynamics: Applications
Designing a Separations Process Without VLE Data by Thomas Schafer - Koch Modular Process Systems, LLC This presentation utilizes as it’s example a problem.
Dicky Dermawan ITK-234 Termodinamika Teknik Kimia II Nonideal Behavior Dicky Dermawan
Dr Saad Al-ShahraniChE 334: Separation Processes  Nonideal Liquid Solutions  If a molecule contains a hydrogen atom attached to a donor atom (O, N, F,
1 Thermodynamic models for CO 2 -alkanolamine-water systems Erik T. Hessen and Hallvard F. Svendsen Norwegian University of Science and Technology (NTNU)
Unit Operations Lecture Nov McCabe-Thiele – AZ diagrams 2 Ethanol – Water Binary (1.013 bar):
Chapter 14 Part IV—Liquid-liquid equilibrium. The use of the stability criteria If we test some liquid mixtures (we think they are a single liquid phase),
Physical and chemical equilibrium of CO2-Water-Mineral system using Aspen Plus process simulator Technical University of Delft Ali Akbar Eftekhari Hans.
HYSYS ® :An Introduction to Chemical Engineering Simulation B Presented by: Kazem Akbarzadeh Malihe mohamdi Abadan Institute of Technology.
Advance Chemical Engineering Thermodynamics By Dr.Dang Saebea.
CBE 417 “Unit Operations” Lecture: 3 7 Sep 2012.
Physical Property Modeling from Equations of State David Schaich Hope College REU 2003 Evaluation of Series Coefficients for the Peng-Robinson Equation.
Eric Carlson’s Recommendations
5.2 Ideal Gases Densities of gases  Sensitive to T and P P-V-T relation  Equation of State (EOS) Ideal Gas Law for Single Component PV = nRT Ideal Gas.
Chem. Eng. Thermodynamics (TKK-2137) 14/15 Semester 3 Instructor: Rama Oktavian Office Hr.: M.13-15, Tu , W ,
Masakazu Sasaki Toyo Engineering Corporation Toyo Engineering Corporation SSE-02 A Study of PRO/II ® Liquid Density Models for Effective Usage of Thermo.
Thermodynamics of Separation Operations
 In the previous section you specified the stream conditions in the Workbook property view. Next you will input the composition information in the Stream.
8. Solute (1) / Solvent (2) Systems 12.7 SVNA
Liquid-Liquid Equilibria in Aspen Plus® v8.8
Solution Thermodynamics: Applications Chapter 12-Part IV.
Chapter 14: Phase Equilibria Applications Part II.
Equations of State The Ideal Gas
Aspen Tutorial Terry A. Ring ChEN 4253.
Heptanes-Plus Characterization
Prepared By Hitesh N. Panchal Assistant Professor
Crude Unit Overhead Modeling The technology that makes it possible
Physical Behavior of Matter Review
The Ideal Gas.
Thermodynamic models in aspen hysys
Solution of Thermodynamics: Theory and applications
A High-Temperature CO2–Brine Phase-Partitioning Model for
Thermochemistry Test Review
Multiphase Systems.
Phase Equilibrium.
Exercise 1 HYSYS Review 11/12/ Design & Analysis II.
How to chose the best property prediction method for simulation ?
How to chose the best property prediction method for simulation ?
Chem. Eng. Thermodynamics (TKK-2137)
Modified by Jed Macosko
Multiphase Systems.
How to chose the best property prediction method for simulation ?
SPECIALIZATION PROJECT TKP 4550
Tier 2 Use of computer as a simulation tool.
Solutions and Solubility
CHAPTER 3 Volumetric Properties of Pure Fluids: Part 1
Thermodynamics Review and Theory
SEQUENCING OF AZEOTROPIC DISTILLATION COLUMNS
How to chose the best property prediction method for simulation ?
Separation Trains Azeotropes
How to chose the best property prediction method for simulation ?
Lecture 11 Critical point and real gases
How to chose the best property prediction method for simulation ?
Process Design and Optimization of Hybrid Extraction-Distillation
Presentation transcript:

How to chose the best property prediction method for simulation ? Exercise 2 How to chose the best property prediction method for simulation ? 11/23/2018 054402 Design & Analysis II

Importance of Selecting the Appropriate Prediction Method Correct predictions of the physical properties of the mixture as a function of temperature and pressure. Each method is suitable only for particular types of components and limited to certain operating conditions. Choosing the wrong method may lead to incorrect simulation results. Particularly important for reliable computations associated with separation operations (distillation, LL extraction, etc.). 11/23/2018 054402 Design & Analysis II

Principle Steps in Selecting the Appropriate Thermodynamics Package Choosing the most suitable model/thermo method. Comparing the obtained predictions with data from the literature. Adding estimates for components that not available in the chosen thermo package. Can they be neglected? Generation of lab data if necessary to check the thermo model. 11/23/2018 054402 Design & Analysis II

Sources of Information Publications and professional literature that deal with the process in question or with the components that participate in the process. Simulator reference manual (HELP). DATABANKS Rules of thumb. 11/23/2018 054402 Design & Analysis II

Issues in Selection of the Appropriate Thermodynamics Package Nature of mixture (e.g., hydrocarbon, polar, electrolyte, etc.) Pressure and temperature range Availability of data. 11/23/2018 054402 Design & Analysis II

Recommendations for the Selection of the Appropriate Thermodynamics Package Eric Carlson, “Don’t gamble with physical properties for simulations,” Chem. Eng. Prog. October 1996, 35-46 Prof J.D. (Bob) Seader, University of Utah Hyprotech Recommendations 11/23/2018 054402 Design & Analysis II

Eric Carlson’s Recommendations Figure 1 Non-electrolyte See Figure 2 E? Polar Electrolyte Electrolyte NRTL Or Pizer Real Peng-Robinson, Redlich-Kwong-Soave, Lee-Kesler-Plocker All Non-polar R? Chao-Seader, Grayson-Streed or Braun K-10 Polarity Pseudo & Real Real or pseudocomponents P? R? P? Pressure Vacuum Braun K-10 or ideal E? Electrolytes 11/23/2018 054402 Design & Analysis II

Figure 2 LL? ij? P? LL? ij? Yes NRTL, UNIQUAC and their variances Yes WILSON, NRTL, UNIQUAC and their variances ij? (See also Figure 3) P < 10 bar No Yes No UNIFAC LLE P? LL? Polar Non-electrolytes P > 10 bar No UNIFAC and its extensions Schwartentruber-Renon PR or SRK with WS PR or SRK with MHV2 LL? Yes Liquid/Liquid ij? P? Pressure No PSRK PR or SRK with MHV2 ij? Interaction Parameters Available 11/23/2018 054402 Design & Analysis II

Figure 3 DP? Wilson, NRTL, UNIQUAC, or UNIFAC with special EOS for Hexamers Figure 3 Hexamers DP? Yes Wilson, NRTL, UNIQUAC, UNIFAC with Hayden O’Connell or Northnagel EOS Dimers VAP? Wilson NRTL UNIQUAC UNIFAC Wilson, NRTL, UNIQUAC, or UNIFAC* with ideal Gas or RK EOS No VAP? Vapor Phase Association UNIFAC* and its Extensions DP? Degrees of Polymerizatiom 11/23/2018 054402 Design & Analysis II

Bob Seader’s Recommendations 11/23/2018 054402 Design & Analysis II  

Bob Seader’s Recommendations Yes Figure 4 PSRK HC? Hydrocarbons PC? Yes LG? Light gases No E? Electrolyte See Figure 5 Yes LG? Yes PC? Organic Polar Compound See Figure 6 No PC? HC? No See Figure 5 No Yes Modified NRTL E? No Special: e.g., Sour Water (NH3, CO2, H2S, H2O) Aqueous amine solution with CO2 and H2S 11/23/2018 054402 Design & Analysis II

Figure 5 P? T? BP? Critical PR Cryogenic Narrow or wide Non-Critical PR, BWRS T? HC and/ or LG Non- Cryogenic BP? SRK, PR Very wide BP? Boiling point range of compound LKP T? Temperature region P? Pressure region 11/23/2018 054402 Design & Analysis II

Figure 6 PPS? BIP? Yes NRTL, UNIQUAC Available No PC with HC Wilson Not Available BIP? Binary Interaction Parameters UNIFAC PPS? Possible Phase Splitting 11/23/2018 054402 Design & Analysis II

Hyprotech Recommendations 11/23/2018 054402 Design & Analysis II  

Example Find the best thermodynamic package for 1-Propanol , H2O mixture. Eric Carlson, “Don’t gamble with physical properties for simulations,” Chem. Eng. Prog. October 1996, 35-46 Prof J.D. (Bob) Seader, University of Utah 11/23/2018 054402 Design & Analysis II

Eric Carlson’s Recommendations for 1-Propanol ,H2O mixture Figure 1 Non-electrolyte See Figure 2 E? Polar Polarity Real or pseudocomponents R? P? Pressure E? Electrolytes 11/23/2018 054402 Design & Analysis II

Figure 2 LL? ij? P? LL? Yes WILSON, NRTL, UNIQUAC and their variances (See also Figure 3) P < 10 bar No No P? LL? Polar Non-electrolytes No UNIFAC and its extensions LL? Liquid/Liquid P? Pressure ij? Interaction Parameters Available 11/23/2018 054402 Design & Analysis II

Bob Seader’s Recommendations for 1-Propanol ,H2O mixture Figure 4 HC? Hydrocarbons LG? Light gases E? Electrolyte Yes LG? Yes PC? Organic Polar Compound See Figure 6 No PC? HC? 11/23/2018 054402 Design & Analysis II

Figure 6 PPS? BIP? Yes NRTL, UNIQUAC Available PC with HC Not Available BIP? Binary Interaction Parameters UNIFAC PPS? Possible Phase Splitting 11/23/2018 054402 Design & Analysis II

1-Propanol, H2O 11/23/2018 054402 Design & Analysis II

TXY macro for HYSYS 11/23/2018 054402 Design & Analysis II