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Welcome to the Aspen Plus webinar series Using Aspen Properties in Excel Chris Inglis, Product Management October 19, 2016 The Team Chris Inglis, Product Management David Tremblay, Senior Director, Product Management Tami Okano, Product Marketing Yuhua Song, Sr. Principal Engineer, Research & Development 2 © 2015 Aspen Technology, Inc. All rights reserved Agenda • What’s New in Aspen Properties? • Aspen Properties in Excel • Demonstration • Q&A 3 © 2015 Aspen Technology, Inc. All rights reserved Accurate Physical Properties Are Essential Narrow boiling olefin system: 140 trays required $18 Million Column With 5% error in VLE predictions: 280 trays required 2 x $ 18 Million Columns an 18 MM$ error 4 © 2015 Aspen Technology, Inc. All rights reserved Advantages of Aspen Properties • State-of-art property models • Extensive collection of property data • DIPPR pure component data • NIST pure – Over 24,000 components • NIST source – over 4 million sets of experimental data • Binary parameters for over 30k pairs • Estimate properties from structure R&D 100 Award Winner 2009 • Unique polymer property models • Tight integration with Excel 5 © 2015 Aspen Technology, Inc. All rights reserved Improvements in Physical Properties (1) New in Aspen Plus v9 New VTPR Model Support for CAPE-OPEN 1.1 Updated Databases • DIPPR May 2015 • NIST – TDE 10.0 / Source 10.2 (pure & binary) • Improved APED SQL security NIST 5x faster Aspen Plus features the best physical property system of any commercial simulator with the widest range of models and parameters – this sets Aspen Plus apart from low-cost imitators 6 © 2015 Aspen Technology, Inc. All rights reserved Improvements in Physical Properties (2) New in Aspen Plus v9 Aspen Properties in Excel Improved Binary Analysis Evaluate Entrainers • New Ribbon-based workflow • Installed by default – easy to find • Manage version with Aspen Excel add-in manager Log Steps Option 7 • Embed property file in Excel for easy deployment & portability © 2015 Aspen Technology, Inc. All rights reserved Cubic Plus Association (CPA) Equation of State New in V8.8 345 T-xy diagram for METHANOL/C6 • VLE and LLE predictions from a single, limited set of parameters using an EOS 340 335 330 325 • Pure parameters for > 140 components 320 315 310 • Binary parameters for > 230 pairs Temperature, K 305 300 • Able to address complex systems: 295 290 285 280 275 270 265 260 x 1.0133 b ar • Non-polar y 1.0133 b ar Exp . y M-C6-D3 (1.01325 bar) Exp . x M-C6-D3 (1.01325 b ar) • Polar Exp . x2 M-C6-D2 Exp . x1 M-C6-D2 TEMP, 1.0 b ar TEMP, 1.0 b ar • Associating compounds 255 250 245 240 0.00 0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 0.45 0.50 0.55 0.60 0.65 0.70 0.75 0.80 0.85 0.90 0.95 1.00 • Emphasis on methanol, water, hydrocarbons, H2S, CO2 Liqu id/vapor mo le fraction, METHANOL 8 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Equation of State Model New in V9 • New Volume-Translated Peng-Robinson Equation of State (VT-PR) • Ranked 2nd among top 5 requests made by EGAS in 2015 • Addresses deficiencies of PSRK 9 • More accurate liquid density • Improved prediction of asymmetric systems • Allowed simultaneous data regression from VLE, hE and ∞ data © 2015 Aspen Technology, Inc. All rights reserved VT-PR Model Implementation • Implemented as built-in property method – With option to change activity coefficient model used to e.g., NRTL (Selected Methods|Models tab) • With all known published group and group-group interaction parameters – J. Ahlers and J. Gmehling, Development of an universal group contribution equation of state: I. Prediction of liquid densities for pure compounds with a volume translated Peng-Robinson equation of state. Fluid Phase Equilibria, 2001, 191, 177-188. – J. Ahlers and J. Gmehling, Development of an universal group contribution equation of state: 2. Prediction of vapor-liquid equilibria of asymmetric systems, I&EC Research, 2002, 41, 3489-3498. – B. Schmid, and J. Gmehling, Revised parameters and typical results of VTPR group contribution equation of state, Fluid Phase Equilibria, 2012, 317, 110-126. – B. Schmid, A. Schedemann, and J. Gmehling, Extension of the VTPR group contribution equation of state: Group Interaction Parameters for Additional 192 Group Combinations and Typical Results, I&EC Research, 2014, 53, 3393-3405. • With AspenTech’s Twu’s alpha function and volume-translation parameters from APV90 database 10 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Model Validation • Validated against experimental data using systems from published literature on VT-PR • Including density, VLE (Txy, Pxy, xy, PT-envelope), LLE, SLE, ϒ∞, excess enthalpy and excess molar volume • The next slides compare the plots generated using the results from Aspen Properties with the figures published in the literature 11 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: Saturation Density Pure Saturation Density 12 © 2015 Aspen Technology, Inc. All rights reserved Mixed Saturation Density VT-PR Validation: VLE (Pxy) 13 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: VLE (Txy) 14 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: LLE and SLE 15 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: ϒ∞ 16 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: PT-Envelope 17 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: Excess Molar Enthalpy 18 © 2015 Aspen Technology, Inc. All rights reserved VT-PR Validation: Excess Molar Volume 19 © 2015 Aspen Technology, Inc. All rights reserved Property Sets Are Now Constrained to One Physical Type Unique Property Sets for Mass, Mole, and Flow-Based Properties Using different property IDs for different types of properties eliminates problems with copy/paste to sensitivity (etc) because the types are now unique 20 © 2015 Aspen Technology, Inc. All rights reserved Other Enhancements in Aspen Plus / Properties v9 • Improve handling for ice formation in compressors with electrolyte models • Extended Cubic-Plus-Association (CPA) model to address type 1A association to improve accuracy for systems involving acids • The RTOMXB, RTOSRK, and RTOSTM property methods have been reintroduced to provide upward compatibility for old RT-Opt projects – New projects use the MXBONNEL, SRK, and STMNBS2 21 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties v9 Property Analysis Enhancements New PseudoBinary option New option for logarithmic steps 22 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties v9 Property Analysis Enhancements Pseudo-binary option - Useful in studying the impact of an entrainer (solvent) on breaking a binary azeotrope. 23 © 2015 Aspen Technology, Inc. All rights reserved Database Updates, NIST/TDE Enhancements • Implemented latest public version of DIPPR database (May, 2015) • Implemented latest release of NIST TDE and database (TDE V10; Database V10.2). – Updated pure components and binary interaction parameters for NRTL, Wilson and UNIQUAC • Improved performance (speed) of NIST TDE – Now runs much faster (seconds vs. minutes) – Water (30 secs. vs. 2:30 mins) – Acetone (10 secs vs. 25 secs) – Water-Ethanol (30 secs vs. 2:10 mins) 24 © 2015 Aspen Technology, Inc. All rights reserved Database Updates, NIST/TDE Enhancements (Continued) • Added DIPPR components Alias C3H4O2 C20H36O4-D1 CL6OSI2 C6H5NAO C13H10O3 Name PYRUVIC-ALDEHYDE DI-2-ETHYLHEXYL-MALEATE HEXACHLORODISILOXANE SODIUM-PHENATE DIPHENYL-CARBONATE CAS Number 78-98-8 142-16-5 14986-21-1 139-02-6 102-09-0 Name 3-MERCAPTOPROPYL-TRIETHOXYSILANE ERGOTAMINE-TARTRATE-DIHYDRATE P-CHLOROBENZOTRIFLUORIDE TRIETHYL-ESTER-PHOSPHOROUS-ACID CAS Number 14814-09-6 1-01-4 98-56-6 122-52-1 • Added NIST components Alias C9H22O3SSI C37H44N5O13 C7H4CLF3 C6H15O3P 25 © 2015 Aspen Technology, Inc. All rights reserved SQL Security Improvements (Applies to Server Deployment) • New features introduced in APED (server deployment): – “Server Roles”: Manage permissions on a SQL server. – “Database Roles”: Manage permissions in databases • Previous versions did not support “Database Roles” – Provides a public login: “apeduser2” – Requires “sysadmin” as its only “Server Role”. Why? Requested by customers with strong security requirements – Can perform any activity on the SQL server: – Create and delete database. – Easy to use, but poses significant risk to security: – Unauthorized user may delete databases or destroy other important information. – May be against a company security policy for using SQL server. 26 © 2015 Aspen Technology, Inc. All rights reserved SQL Security Improvements (Applies to Server Deployment) • “Server Roles” reduce risk of security: Supporting “Server Roles” in APED will allow a non-sysadmin “Server Role” assigned to a login when it is created or later modified. • “Database Roles” enable easy access (readonly) to databases: Supporting “Database Roles” in APED will allow a database to be accessible by a login with a nonsysadmin “Server Role”. 27 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties v9 CAPE-OPEN Thermo Interface 1.1 • Implement both Thermo Socket and Thermo Server • CAPE-OPEN Unit Operations allow selection of Thermo 1.0 or 1.1 • We plan to retire 1.0 at some point in the future 28 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties Excel Add-In 29 © 2014 Aspen Technology, Inc. All rights reserved Aspen Properties in Excel Did you know you can use Aspen Properties models and data inside Excel? • Most engineers already use Excel for engineering calculations • Many users do not know this functionality exists 30 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties in Excel 31 Property Calculation Example Unit Operation K-values VLE, LLE Distillation, extraction Enthalpy, Heat capacity Energy balances, heat duties Heat exchangers, reactors Entropy Work and efficiencies Pumps, compressors Gibbs Free Energy Chemical equilibrium, LLE Reactors, decanters Molar Volume (density) Flow rates, residence time Pipes, reactors Viscosity Pressure drop Heat exchanges © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties Excel Add-In Use Proven Physical Properties Methods and Data in Excel Direct access property models and data Use for sizing, safety, solvent screening, etc. Ensure accuracy and consistency to reduce risk Use consistent models, including in-house methods 32 © 2015 Aspen Technology, Inc. All rights reserved Main Features - Aspen Properties Excel Add-In • Adds functions to calculate properties or get parameters – Pure component – Mixtures – Phase equilibrium (VLE, VLLE, SLE) • Perform unit conversions • Perform flow/fraction conversions Consistent with Aspen Plus properties 33 © 2015 Aspen Technology, Inc. All rights reserved Aspen Properties Excel Add-In Improvements Improvements in V9 • Automatic install - visible in Excel ribbon • The New Ribbon - improved discoverability of features and on-line help • Embed Aspen Properties files into Excel - improving portability • Set Active Version with the Aspen Excel Add-In Manager 34 © 2015 Aspen Technology, Inc. All rights reserved Workflow New Ribbon Makes it Easy to Learn and Use Basic Configuration 35 Set up Functions © 2015 Aspen Technology, Inc. All rights reserved Resources Workflow New Option to Embed Files Improves Portability 1 1 Click Select Package 2 2 36 © 2015 Aspen Technology, Inc. All rights reserved Embed the properties package (.aprbkp file) inside Excel for easy portability between users Workflow Configure Properties and Units of Measure 2 1 1 2 37 © 2015 Aspen Technology, Inc. All rights reserved Optionally create or edit property methods from within Excel Select default units of measure and configure unit sets Workflow Place Labels in Cells – Formulae Reference the Labels 1 1 2 2 Select the type and label 3 Click OK 4 4 3 38 Click target cell in Excel, then click one of the label buttons on the ribbon © 2015 Aspen Technology, Inc. All rights reserved New label is inserted Workflow Create Excel Functions 1 2 1 Select Property 2 Optionally View Help Calculate • Pure Component Properties • Mixture Properties • Phase Equilibrium • Unit Conversions 39 © 2015 Aspen Technology, Inc. All rights reserved Workflow Create Excel Functions 3 4 3 Click Insert Function 4 Enter arguments for the property model 5 Click OK 5 40 © 2015 Aspen Technology, Inc. All rights reserved Workflow Create Excel Functions Use relative & absolute functions just like any other Excel function 41 © 2015 Aspen Technology, Inc. All rights reserved Workflow Create Excel Functions Use Excel to help end-users visualize and analyze properties 42 © 2015 Aspen Technology, Inc. All rights reserved Software Demo Evaluating a Flammability Limit 43 © 2015 Aspen Technology, Inc. All rights reserved Demonstration Summary • Many applications – Safety – Sizing – Solubility • Consistent – Proven data & models – Enables in-house data • Easy – No expertise required 44 © 2015 Aspen Technology, Inc. All rights reserved The industry-leading conference on asset optimization and operational excellence. Join us in Houston, Texas April 25-26th 2 Full Days | 45+ Sessions | 800+ Attendees 45 Innovate Collaborate Elevate Increase performance and reliability with leading-edge technology that automates knowledge work. Drive better and faster business decisions with global visibility and crossfunctional collaboration. Reach new heights with industry best practices that maximize returns from your plant assets. © 2015 Aspen Technology, Inc. All rights reserved #OPTIMIZE2017 Upcoming Webinars Making the most out of Aspen Plus in Excel! November 16, 2016 Improve Plant Operations in Real-Time with Aspen Plus January 17, 2017 We need your input on future webinars 46 © 2015 Aspen Technology, Inc. All rights reserved Viewer Poll Which webinar topics would you be interested in seeing in this series? 47 © 2015 Aspen Technology, Inc. All rights reserved Proposed Poll Multiple Choice Answers (select all that apply) • Offline or Online Simulation Models for Plant Operations Support • Aspen Properties for the Advanced User • Solids Modeling in Aspen Plus • Building Custom Simulation Models • Why Use Aspen Plus Equation-Oriented Mode? • Heat Exchanger or Catalyst Deactivation Performance Monitoring • Optimize Process Utilities • Operator Training Tools • Column Modeling From Conceptual to Detailed Design 48 © 2015 Aspen Technology, Inc. All rights reserved Q&A Upcoming – November 16th Making the most out of Aspen Plus in Excel! Chris Inglis [email protected] David Tremblay [email protected] Tami Okano [email protected] 49 © 2015 Aspen Technology, Inc. All rights reserved Additional Resources What’s New Videos - What’s New in aspenONE V9 Page http://www.aspentech.com/products/v9-release/ Aspen Plus Resource Page: Make Confident Decisions in Your Plant http://www.aspentech.com/aspen-plus-resource-center.aspx Example Model - Aspen Properties in Excel: Evaluating a Flammability Limit http://support.aspentech.com/webteamasp/KB.asp?ID=113175 50 © 2015 Aspen Technology, Inc. All rights reserved Thank You AspenTech is ranked as a top innovative growth company Full Access to Aspen Properties from Excel WHY THEthe CUSTOMER CARE? Add-in in Excel How DOES to install Aspen Properties • For AES 8.x and before • Open MS Excel • Go to Developer ribbon and click on the Add-Ins icon – Alternatively, click on Tools/Excel Options and click on “Add-ins” • The Add-Ins window will open. Click the Browse button 52 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY THEthe CUSTOMER CARE? Add-in in Excel How DOES to install Aspen Properties • Go to the \Engine\xeq directory where the Aspen Properties calculation engine was installed (e.g., C:\Program Files\AspenTech\Aspen Properties <version>\Engine\xeq), and select the Aspen Properties.xla file 53 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY THEthe CUSTOMER CARE? Add-in in Excel How DOES to install Aspen Properties The following may be needed: • A new menu, Aspen, will appear under the Add-Ins ribbon. The Aspen Properties menu appears under the Aspen menu • Close all Excel windows and restart Excel New in V9: Excel Add-In installed by default 54 © 2015 Aspen Technology, Inc. All rights reserved - Set add-In as a trusted publisher - Enable controls without restriction - Enable macros - Enable data connections Full Access to Aspen Properties from Excel WHY DOES THE Set version withCUSTOMER the AspenCARE? Excel Add-In Manager • Manage Excel Add-Ins provided by Aspen in one tool • Select active version 55 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER CARE? Aspen Properties Excel functions: 56 Function Type PureComponentConstant Scalar or Array VaporPressure Scalar or Array PureProperty MixtureProperty Scalar or Array Scalar AverageMolecularWeight Scalar Description Pure component constant, such as molecular weight. Vapor pressure of pure component at a given temperature. Pure component properties Mixture Properties Average molecular weight for a mixture © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER CARE? Aspen Properties Excel functions: FlashType PVFlash PHFlash TPFlash TVFlash THFlash PSFlash 57 Descriptions Pressure-Vapor fraction vaporliquid flash Pressure-Enthalpy vaporliquid flash Temperature-Pressure vaporliquid flash Temperature-Vapor fraction vapor-liquid flash Temperature-Enthalpy vaporliquid flash Pressure-Entropy vapor-liquid flash Required Specifications Return Values P, V T, H, X, Y, SFRAC P, H T, V, X, Y, SFRAC T,P V, H, X, Y, SFRAC T, V P, H, X, Y, SFRAC T, H P, V, X, Y, SFRAC P, S T, V, X, Y, SFRAC © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER CARE? Aspen Properties Excel functions: FlashType PUFlash PVFlash3 PHFlash3 TPFlash3 TVFlash3 THFlash3 58 Descriptions Required Specifications Pressure-Internal Energy vaporP, U liquid flash Pressure-Vapor fraction vaporP, V liquid-liquid flash Pressure-Enthalpy vaporP, H liquid-liquid flash Temperature-Pressure vaporT,P liquid-liquid flash Temperature-Vapor fraction T, V vapor-liquid-liquid flash Temperature-Enthalpy vaporT, H liquid-liquid flash © 2015 Aspen Technology, Inc. All rights reserved Return Values T, V, X, Y, SFRAC T, H, BETA, X:1, X:2, Y, SFRAC T, V, BETA, X:1, X:2, Y, SFRAC V, H, BETA, X:1, X:2, Y, SFRAC P, H, BETA, X:1, X:2, Y, SFRAC P, V, BETA, X:1, X:2, Y, SFRAC Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER CARE? Aspen Properties Excel functions: 59 Function Type UnitsConversion Scalar MoleFractiontoMassFraction Array MassFractiontoMoleFraction Array MassFlowtoMoleFraction Array Description Units Conversion, for example, convert temperature from K to F Convert a mole fraction composition for a set of components into mass fractions. Convert a mass fraction composition for a set of components into mole fractions. Convert mass flow rates for a set of components into mole fractions. © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY THE CUSTOMER CARE? PureDOES Component Constants: • molecularWeight • normalBoilingPoint • normalFreezingPoint • criticalTemperature • criticalPressure • criticalCompressibilityFactor • acentricFactor 60 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY THEFunctions: CUSTOMER CARE? PureDOES Property • fugacityCoefficient • volume • enthalpy • viscosity • entropy • thermalConductivity • gibbsFreeEnergy • surfaceTension • heatCapacity Be aware that the function names are case sensitive 61 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER Mixture Property Functions:CARE? • fugacityCoefficient • viscosity • enthalpy • thermalConductivity • entropy • surfaceTension • gibbsFreeEnergy • heatCapacity • volume • activityCoefficient • diffusionCoefficient Be aware that the function names are case sensitive 62 © 2015 Aspen Technology, Inc. All rights reserved Full Access to Aspen Properties from Excel WHY DOES THE CUSTOMER Mixture Property Functions:CARE? • fugacityCoefficient • viscosity • enthalpy • thermalConductivity • entropy • surfaceTension • gibbsFreeEnergy • heatCapacity • volume • activityCoefficient • diffusionCoefficient Be aware that the function names are case sensitive 63 © 2015 Aspen Technology, Inc. All rights reserved