CHEP8014 - Process & Properties Analysis

Title:Process & Properties Analysis
Long Title:Process & Properties Analysis
Module Code:CHEP8014
Duration:1 Semester
Credits: 5
NFQ Level:Advanced
Field of Study: Chemical & Process Eng
Valid From: Semester 1 - 2017/18 ( September 2017 )
Module Delivered in 1 programme(s)
Module Coordinator: NIALL MORRIS
Module Author: NOEL DUFFY
Module Description: This module develops students' capability to solve real phase equilibrium separation problems, applying fundamental theory with industry-grade software. Advanced functions of the steady-state process simulation package, Aspen Plus, will be covered and the students will be introduced to the capabilities of a batch process simulator.
Learning Outcomes
On successful completion of this module the learner will be able to:
LO1 Assess the applicability of correlative and predictive phase equilibrium models to specific ideal and non-ideal system separations.
LO2 Assess the separability of a non-ideal mixture using Aspen software.
LO3 Construct sensitivity analyses, design specifications, calculator blocks and optimization blocks in Aspen Plus
LO4 Prepare a simulation of a batch process using batch simulation software.
Pre-requisite learning
Module Recommendations
This is prior learning (or a practical skill) that is strongly recommended before enrolment in this module. You may enrol in this module if you have not acquired the recommended learning but you will have considerable difficulty in passing (i.e. achieving the learning outcomes of) the module. While the prior learning is expressed as named CIT module(s) it also allows for learning (in another module or modules) which is equivalent to the learning specified in the named module(s).
Incompatible Modules
These are modules which have learning outcomes that are too similar to the learning outcomes of this module. You may not earn additional credit for the same learning and therefore you may not enrol in this module if you have successfully completed any modules in the incompatible list.
Co-requisite Modules
No Co-requisite modules listed

This is prior learning (or a practical skill) that is mandatory before enrolment in this module is allowed. You may not enrol on this module if you have not acquired the learning specified in this section.

No requirements listed

Module Content & Assessment

Indicative Content
Review of vapour liquid equilibrium (VLE) for ideal systems.
Vapour pressure of pure components: Antoine equation. Pxy, Txy, yx diagrams for ideal mixtures; K-values; relative volatility; bubble and dew point calculations; isothermal and adiabatic flash calculations.
Non-ideal phase equilibrium
VLE in non-ideal systems: using equations of state; using activity coefficient models with equations of state. Variation of activity coefficients with temperature; local composition (excess Gibbs energy) models: Wilson, UNIQUAC, NRTL. Azeotropes. High pressure systems: retrograde condensation.
Highly non-ideal systems (VLE, GLE, SLE)
Liquid-liquid equilibrium; variation with temperature and pressure. Supercritical components; solubility of gases in liquids, gas-liquid equilibrium. Introduction to electrolyte solutions: Debye-Huckel Law, modifications: Bromley, Pitzer; Chen NRTL electrolyte model. Introduction to solid-liquid equilibria: salt solubility, influence of salts on vapour-liquid equilibria.
Predictive methods for phase equilibrium
Local composition models - group contribution methods: UNIFAC and modified UNIFAC. Predictive equations of state: PSRK and VTPR-GC methods. Strengths and weaknesses of such methods. Introduction to COSMO and PC-SAFT models. Semi-predictive NRTL-SAC for drug solubility prediction.
Data quality assessment
Checking phase equilibrium data for thermodynamic consistency. Regression of published experimental data to models. Examination using alternative databases e.g. Aspen, NIST, Dortmund DataBank. Combination of data sources and predictive methods.
Application of phase equilibrium to separation processes
Azeotrope variation with pressure. Non-ideal ternary systems: nodes, saddles, residue curves, distillation curves, distillation boundaries. Determination of feasible product compositions. Determination of operating pressure.
Advanced Capabilities of Aspen Plus
Sensitivity analysis, design specifications, calculator blocks and optimization blocks
Batch Simulation Using Batch Process Developer
Determine cycle time and identify bottlenecks, create a multiple batch Gantt chart, generate equipment content and capacity reports to determine equipment size.
Assessment Breakdown%
Course Work100.00%
Course Work
Assessment Type Assessment Description Outcome addressed % of total Assessment Date
Practical/Skills Evaluation Software Project - high end tools in AspenPlus 3 10.0 Week 6
Practical/Skills Evaluation Phase Equilibrium prediction 1,2 25.0 Week 7
Practical/Skills Evaluation Aspen Batch Process Developer 4 15.0 Week 12
Open-book Examination Thermodynamics Exam, using software, texts and notes, to predict and assess reaction and phase equilibrium and feasible separation. 1,2 50.0 Sem End
No End of Module Formal Examination
Reassessment Requirement
Repeat examination
Reassessment of this module will consist of a repeat examination. It is possible that there will also be a requirement to be reassessed in a coursework element.

The institute reserves the right to alter the nature and timings of assessment


Module Workload

Workload: Full Time
Workload Type Workload Description Hours Frequency Average Weekly Learner Workload
Lecture Lectures/Worked examples/Tutorials 1.0 Every Week 1.00
Lab Process Simulation for Batch and Continuous Processes 1.0 Every Week 1.00
Lab Phase equilibrium assessment 2.0 Every Week 2.00
Independent & Directed Learning (Non-contact) Study, Solving Problems 3.0 Every Week 3.00
Total Hours 7.00
Total Weekly Learner Workload 7.00
Total Weekly Contact Hours 4.00
Workload: Part Time
Workload Type Workload Description Hours Frequency Average Weekly Learner Workload
Lecture Lectures / Worked examples / Tutorials 1.0 Every Week 1.00
Lab Process simulation for Batch and Continuous processes 1.0 Every Week 1.00
Lab Phase equilibrium assesment 2.0 Every Week 2.00
Independent & Directed Learning (Non-contact) Study / problem solving 3.0 Every Week 3.00
Total Hours 7.00
Total Weekly Learner Workload 7.00
Total Weekly Contact Hours 4.00

Module Resources

Recommended Book Resources
  • Warren D. Seider, J.D. Seader, Daniel R. Lewin, Soemantri Widagdo, 2010, Product and Process Design Principles: Synthesis, Analysis and Design, 3rd Edition, 3rd Ed., Wiley [ISBN: 9780470414415]
Supplementary Book Resources
  • Elliott, J.R., Lira, C.T. 2012, Introductory chemical engineering thermodynamics, 2nd Ed., Pearson [ISBN: 9780132756242]
  • Jurgen Gmehling, Barbel Kolbe, Michael Kleiber, Jurgen Rarey, 2012, Chemical Thermodynamics for process simulation, Wiley-VCH Weinheim, Germany [ISBN: 9783527312771]
  • Stanley I. Sandler 2006, Chemical, biochemical, and engineering thermodynamics, 4th Ed. Ed., John Wiley & Sons Hoboken, N.J. [ISBN: 9780471661740]
  • Sandler, S.I. 2015, Using Aspen Plus in Thermodynamics Instruction: A Step-by-Step Guide, Wiley [ISBN: 978-1-118-996]
  • Smith, J.M., van Ness, H.C., Abbott, M.M. 2004, Introduction to Chemical Engineering Thermodynamics, 7th Ed. Ed., McGraw-Hill
  • Abbott, M.M. & van Ness, H.C. 1989, Thermodynamics with Chemical Applications (Schaums Outline Series), 2nd Ed. Ed., McGraw-Hill
  • Prausnitz, J.M., Lichtenthaler, R.N., de Azevedo, E.G. 1998, Molecular Thermodynamics of Fluid Phase Equilibria, 3rd Ed. Ed., Prentice-Hall
  • M. F. Doherty and M. F. Malone 2001, Conceptual design of distillation systems, McGraw-Hill Boston [ISBN: 0072488638]
  • Poling, B.E., Prausnitz, J.M., O'Connell, J.P. 2000, The Properties of Gases and Liquids, 5th Ed. Ed., McGraw-Hill
  • Obrey, H., Sandler, S.I., Varma, A. 1998, Modeling Vapor-Liquid Equilibria: Cubic Equations of State and their Mixing Rules, Disk Ed. Ed., Cambridge University Press
This module does not have any article/paper resources
Other Resources
  • Software: Aspen Technology Inc 2015, Aspen Suite, AspenTech, 10 Canal Park, Cambridge, MA, USA
  • Software: DDBSTDortmund Databank (Teaching Edition), Oldenburg

Module Delivered in

Programme Code Programme Semester Delivery
CR_ECPEN_8 Bachelor of Engineering (Honours) in Chemical and Biopharmaceutical Engineering 8 Mandatory