PhysPack User Guide - pelsoftware.com

1 PhysPack user Guide PhysPack user Guide ii NOTICE The information in this document is subject to change without notice and should not be construed as a commitment by ABB. ABB assumes no responsibility for any errors that may appear in this document. In no event shall ABB be liable for direct, indirect, special, incidental or consequential damages of any nature or kind arising from the use of this document, nor shall ABB be liable for incidental or consequential damages arising from use of any software or hardware described in this document. This document and parts thereof must not be reproduced or copied without written permission from ABB, and the contents thereof must not be imparted to a third party nor used for any unauthorized purpose. The software described in this document is furnished under a license and may be used, copied, or disclosed only in accordance with the terms of such license.

2 TRADEMARKS Microsoft, Windows and Excel are either registered trademarks or trademarks of Microsoft Corporation in the United States and/or other countries. All other trademarks are the property of their respective owners. COPYRIGHT Copyright 2001-2012 ABB Limited. All Rights Reserved. Document: PhysPack user Guide Revision: Published: October 2012 Software: PhysPack Version: SUPPORT INFORMATION This program is developed, maintained and supported by PEL Support Services, ABB. We run a Hotline telephone and email service to answer any queries about PhysPack . Please let us have any suggestions on how you feel we could improve PhysPack . You can contact us by any of the following routes: By Telephone: +44 (0)1925 74 1126 By Post: PEL Support Services ABB Limited. Daresbury Park Daresbury Warrington Cheshire WA4 4BT United Kingdom.

3 By Fax: +44 (0)1925 74 1265 By email: iii Contents Preface .. 1 About this Guide .. 1 Who should read this Guide .. 1 What is in this Guide .. 1 How this Guide is structured .. 1 Conventions .. 2 Chapter 1 Introduction .. 3 What s new .. 3 Overview of PEL .. 4 Chapter 2 Getting started .. 5 Starting PhysPack .. 5 Quitting PhysPack .. 5 user interface .. 6 user 6 Online help .. 6 Online documentation .. 7 PEL Support Services .. 7 Chapter 3 PhysPack Quick Tour .. 9 Part 1 Components and aqueous solutions .. 9 The first 30 seconds .. 9 The next 30 seconds .. 10 Part 2 Mixtures .. 11 Chapter 4 Simple 15 Calculating a pure component .. 15 Selecting a pure component .. 15 Viewing constant properties .. 16 Viewing the calculated results .. 17 Calculating an aqueous solution .. 18 Selecting an aqueous solution.

4 18 Viewing constant properties .. 19 Viewing the calculated results .. 19 Changing the properties in the calculation .. 20 Specifying conditions for the calculation .. 20 Specifying conditions for a pure component .. 21 Specifying conditions for an aqueous solution .. 23 Changing the units for the calculation .. 24 Selecting molar or mass units .. 25 Creating your own set of units .. 25 Chapter 5 Handling simple results .. 27 Viewing results as a graph .. 27 Viewing a graph of the results .. 28 Viewing the current graph .. 28 PhysPack user Guide iv Adding selected results to the current graph .. 29 Removing selected results from the current graph .. 29 Printing your results .. 30 Printing all the results .. 30 Printing selected results .. 31 Saving your results .. 32 Saving the results as an Excel 32 Copying the results to the clipboard.

5 32 Copying selected results to the clipboard .. 32 Saving constants data .. 32 Chapter 6 Advanced calculations .. 35 Calculating a mixture .. 35 Specifying the VLE method .. 37 Specifying the LLE method .. 39 Specifying the SLE method .. 39 Describing the model .. 39 Saving the current stream .. 39 Changing the properties in the calculation .. 40 Changing the units for the calculation .. 40 Specifying type and conditions for the calculation .. 41 Specifying the type of calculation .. 41 Specifying a VL Equilibrium calculation .. 42 Specifying a Nonequilibrium calculation .. 46 Specifying a VL Phase Envelope calculation .. 47 Specifying a Binary (non-equilibrium) calculation .. 48 Specifying a Binary (VL Equilibrium) calculation .. 49 Specifying a VLL Equilibrium calculation .. 51 Specifying an LL Equilibrium calculation.

6 52 Specifying an SL Equilibrium calculation .. 53 Specifying a VL Mass Flux calculation .. 54 Viewing results for a mixture .. 55 Showing phase data for a mixture .. 56 Saving a phase as the feed stream .. 57 Selecting the key component for relative volatility .. 57 Copying phase data .. 57 Copying the phase data to the clipboard .. 57 Copy selected phase data to the clipboard .. 57 Saving all constants data .. 58 Calculation failures .. 58 Chapter 7 Saving PhysPack data .. 59 Managing calculations files .. 59 Saving a calculation file .. 59 Opening a calculation file .. 59 Managing physical properties files .. 59 Saving a physical properties file .. 60 Opening a physical properties file .. 60 Quick reference .. 61 Revision history .. 63 Glossary .. 65 Index .. 67 1 Preface Welcome to PhysPack , the tool for calculating and analysing the physical properties of mixtures, pure components and aqueous solutions.

7 About this Guide This Guide is designed to assist you in becoming quickly familiar with the capabilities of PhysPack , its interface and how the program is used. Who should read this Guide This Guide is written for users of PhysPack to help you take full advantage of its calculation tools. If you are new to this product, we recommend that you first read The 60 Second Guide to PhysPack (Parts 1 and 2). The Guide assumes you are familiar with the Windows operating system. If you are new to Windows, you can find help, tutorials and support information by clicking Start > Help and Support. What is in this Guide The Guide contains descriptions and step-by-step instructions for all the tasks involved in using PhysPack . How this Guide is structured The chapters are organised as follows: 1. Introduction Introduces the product, outlining the main features.

8 2. Getting started Shows how to start PhysPack , introducing the user interface for the application. 3. PhysPack Quick Tour Tutorial for a typical session using PhysPack , emphasising the commonly used features. 4. Simple calculations Shows how to run simple calculations for pure components and aqueous solutions. 5. Handling simple results Shows how to handle results for simple calculations. 6. Advanced calculations Shows how to set up calculations for mixtures. 7. Saving PhysPack data Shows how to save calculation and physical properties data so that it can be used in other PEL applications. PhysPack user Guide 2 The Guide also includes a quick reference section and a glossary. Conventions The following typographical conventions are used in this Guide : Convention Description Bold To help with procedures, items that you click, select, or view may appear with the bold format (buttons, options, and window titles, for example).

9 Italic Proper names (software products, for example) and titles appear in the italic format. Monospace Represents any text that appears on the computer screen or text that you should type. It is also used for filenames, functions, and examples. Monospace oblique Represents variable text where you would type in a specific value. > The chevron indicates a menu option in a procedure. For example, click File > Open, means on the File menu, click Open. 3 Chapter 1 Introduction PhysPack is an easy-to-use database of physical properties, combined with a powerful calculation engine suitable for both expert and less experienced users. It simplifies chemical process design by enabling you to generate physical property data, investigate them, and then transfer them to other PEL applications You can quickly and easily obtain a diverse range of information both numerically and graphically for pure components, aqueous solutions, or mixtures, for both single phase or multiphase equilibrium and across a full range of temperatures and pressures.

10 Calculations for pure components For pure components, simply select any one of the 18,000 components on the PEL physical properties databank and PhysPack will instantly display the constant properties (critical temperature, dipole moment, etc.), together with the liquid, vapour, and solid properties over a range of temperatures and pressures. You can tailor the output to your own requirements by specifying different ranges and different units of dimension. Calculations for aqueous solutions The same applies for aqueous solutions. Simply select the solution, enter the concentration, and PhysPack will display the results in the same format as for pure compounds above. Specify a range of concentrations and see the effect this has on different properties over a range of temperatures. Calculations for mixtures Mixtures are where the power of PhysPack really comes to the fore.