Combining PRO/II & gproms custom modelling to enhance competitive advantage

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1 Invensys User meeting October 2014 Combining PRO/II & gproms custom modelling to enhance competitive advantage Pieter Schmal Pr. Application Engineer

2 HISTORY: FROM RESEARCH TO INDUSTRY Now US TX US NJ London HQ Switzerland Korea Japan 100s of person-years of R&D with industry Simulation & modelling, optimisation, numerical solutions techniques, supply chain Company spun out Acquires technology Private, independent company incorporated in UK 120+ people >50% PhDs Saudi Arabia India Thailand Malaysia Taiwan China Advanced Process Modelling Software and services (60:40) Major process industry focus all sectors Strong R&D Strong commercials Royal Academy MacRobert Award for Engineering Innovation UK s highest engineering award

3 PSE s business ADVANCED PROCESS MODELLING Technology and services for the process industries Decisions, decisions Based on accurate quantification Equipment configuration Operating conditions First-principles models But what is Advanced Process Modelling? Explore decision space rapidly Validated against data (where appropriate) Catalyst choices Scale up Whole plant optimisation Reduce uncertainty Operating policy Better, faster, safer decisions Rigorous physical property calculations Rigorous optimisation TASK language for operating policy

4 gproms product family General mathematical modelling Sector-focused modelling tools Chemicals & Petrochemicals Life Sciences, Consumer, Food, Spec & Agrochem Power & CCS Oil & Gas Wastewater Treatment gproms ModelBuilder Advanced process modelling environment gproms ProcessBuilder Advanced process simulation Solids process optimisation Crystallization process optimisation CCS system modelling Fuel Cells & Batteries Flare networks & depressurisation Wastewater systems optimisation Advanced model libraries for reaction & separation Oral absorption Fuel cell stack & system design The gproms platform Equation-oriented modelling & solution engine Materials modelling Model deployment tools Enterprise Objects Deploy models in common engineering software

5 Advanced Process Models N () z NR i 0 a r ( z) ij j z j 1 NC NR NC T ( z) T ( z) f Cp (1 ) a H r ( z) N ( z) H ( z) sol sol i ij j i i t z z i 1 j 1 z i 1 x () z NC x ( z) N ( z) x ( z) N ( z) i i k k i v( z), i 1, NC 1 z D () z k 1 ik 1. Build first-principles models Literature, research or model libraries Implement in ModelBuilder environment Model parameter Model equation Experimental data 2. Validate model against experimental data Adjust model parameters to match reality 5

6 Example: Multitubular reactor 1-D Catalyst particle 1-D model Catalytic reaction Multicomponent diffusion Heat transfer Implementation single tube Catalyst fixed-bed section Distributor & aggregator (for radial distribution) 2-D axial radial Inert fixed-bed section Coolant Catalyst-filled tube 2-D (axial, radial) Bed and wall heat transfer Mass transfer Shell Baffled compartments Detailed geometry Heat transfer Hydraulics Relevant products

7 Bed heat and mass transfer phenomena Convective heat transfer in coolant Intra-pellet heat conduction Catalyst pellets/ inert Catalyst pellet heat and mass transfer phenomena Multicomponent solidgas mass transfer Intra-pore diffusion Heat transfer between packed bed and wall Radial heat conduction in packed bed Axial convective heat transfer in gas Coolant Coolant Tube wall Intra-pore convection Catalyst pellet Diffusion across film Heat transfer between solid and gas Radial conduction in tube walls Heat transfer between tube and coolant Thermowell Energy carried by solid-gas diffusive mass transfer Radial diffusion/dissipation Catalytic reaction on pore surface Heat conduction

8 Advanced Process Modelling execute & deploy 3. Execute model in native form within gproms ModelBuilder Optimise design parameters and operating conditions reactor diameter tube length baffle window size baffle span outer tube limit inner tube limit tube size 1 arrangement, pitch coolant flowrate coolant temp 9 Link to CFD for shell-side hydrodynamics Shell temperature contours from FLUENT Axial and radial tube temperature profiles from ModelBuilder

9 Advanced Process Modelling execute & deploy 4. Deploy model in exported form within Leverage investment Gain multiple payback Within MATLAB, using go:matlab behind a bespoke web, VBA or Excel interface, using go:run within PRO/II via go:cape-open

10 Key advantages Leverage investment enhanced ROI Best of both gproms ModelBuilder Design-level reactor models Fit experimental data accurate kinetics Characterise catalyst Analyse startup and grade change Optimise operating conditions for max catalyst life PRO/II Corporate standard flowsheeting Accurate reaction combined with distillation and other flowsheet elements Consistent physprops All other advantages of PRO/II

11 Access to high-fidelity models using CAPE-OPEN

12 What is CAPE-OPEN? An industry standard for interoperabilityinterfaces between software components THE non-proprietary interface standard in process simulation A successful collaboration between software vendors, end-users and academics A proven IT technology implemented in most process simulation tools CAPE = Computer Aided Process Engineering Maintained through CAPE-OPEN Laboratories Network (CO-LaN)

13 What are the steps to use a gproms model in PRO/II? 1. Build your gproms model (client) 2. Export it using a GUI 3. Import it into PRO/II (host) 4. Run your simulation

14 Features of CAPE-OPEN Features of CAPE-OPEN: Information flow is well-defined Physical property package of host (PRO/II) is automatically used to ensure full consistency in the flowsheet Access to settings of custom model through standard interface Solution engine of client (gproms) is used to solve the model

15 D E M O

16 Recorded DEMO

17 End result High-fidelity models available in your favorite flow sheeting tool: PRO/II Any type of model Virtually any size/level of detail Better predictability due to parameter estimation capability results in Safer operation More efficient and reliable operation More profit

18 Thank you