1 Computational Fluid Dynamics: the future in safety technology! 1 Jürgen Schmidt

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1 IX Contents Preface XIX List of Contributors XXI 1 Computational Fluid Dynamics: the future in safety technology! 1 Jürgen Schmidt 2 Organized by ProcessNet: Tutzing Symposion 2011 CFD its Future in Safety Technology 5 Norbert Pfeil 2.1 ProcessNet an Initiative of DECHEMA and VDI-GVC The ProcessNet Safety Engineering Section A Long Discussed Question: Can Safety Engineers Rely on Numerical Methods? 7 3 CFD and Holistic Methods for Explosive Safety and Risk Analysis 9 Arno Klomfass and Klaus Thoma 3.1 Introduction Deterministic and Probabilistic Design Tasks CFD Applications on Explosions and Blast Waves Engineering Methods: The TNT Equivalent QRA for Explosive Safety Summary and Outlook 27 References 28 Part One CFD Today Opportunities and Limits if Applied to Safety Techology 31 4 Status and Potentials of CFD in Safety Analyses Using the Example of Nuclear Power 33 Horst Michael Prasser 4.1 Introduction Safety and Safety Analysis of Light Water Reactors Role and Status of Fluid Dynamics Modeling 36

2 X Contents 4.4 Expected Benefits of CFD in Nuclear Reactor Safety Challenges Examples of Applications Deboration Transients in Pressurized Water Reactors Thermal Fatigue Due to Turbulent Mixing Pressurized Thermal Shock Beyond-Design-Based Accidents Hydrogen Transport, Accumulation, and Removal Aerosol Behavior Core Melting Behavior 60 References 66 Part Two Computer or Experimental Design? 69 5 Sizing and Operation of High-Pressure Safety Valves 71 Jürgen Schmidt and Wolfgang Peschel 5.1 Introduction Phenomenological Description of the Flow through a Safety Valve Nozzle/Discharge Coefficient Sizing Procedure Valve Sizing According to ISO Limits of the Standard Valve Sizing Procedure Valve Sizing Method for Real Gas Applications Numerical Sizing of Safety Valves for Real Gas Flow Equation of State, Real Gas Factor, and Isentropic Coefficient for Real Gases Comparison of the Nozzle Flow/Discharge Coefficient Models Sizing of Safety Valves Applying CFD High Pressure Test Facility and Experimental Results Numerical Model and Discretization Numerical Results Summary 90 References 93 6 Water Hammer Induced by Fast-Acting Valves Experimental Studies, 1D Modeling, and Demands for Possible Future CFX Calculations 95 Andreas Dudlik and Robert Fröhlich 6.1 Introduction Multi-Phase Flow Test Facility Extension of Pilot Plant Pipework PPP for Software Validation Experimental Set-Up Experimental Results Experimental Results Thermohydraulics 100

3 Contents XI Case Studies of Possible Future Application of CFX D Modeling of Kaplan Turbine Failure Simulation Results Closing Time 10 s, Linear Possible Chances and Difficulties in the Use of CFX for Water Hammer Calculations Benchmark Test for Influence of Numerical Diffusion in Water Hammer Calculations CFD The Future of Safety Technology? 109 References CFD-Modeling for Optimizing the Function of Low-Pressure Valves 113 Frank Helmsen and Tobias Kirchner References 119 Part Three Fire and Explosions are CFD Simulations Really Profitable? Consequences of Pool Fires to LNG Ship Cargo tanks 123 Benjamin Scholz and Gerd-Michael Wuersig 8.1 Introduction Evaluation of Heat Transfer Simplified Steady-State Model (One-Dimensional) Different Phases of Deterioration Possibility of Film Boiling Burning Insulation CFD-Calculations Buckling Check of the Weather Cover Checking the CFD Model Temperature Evaluation of Weather Cover/Insulation Temperature Distribution inside the Insulation Hold Space Temperature Distribution During Incident Results of CFD Calculation in Relation to Duration of Pool Fire Burning According to the Sandia Report CFD the Future in Safety Technology? Conclusions 136 References CFD Simulation of Large Hydrocarbon and Peroxide Pool Fires 139 Axel Schönbucher, Stefan Schälike, Iris Vela, and Klaus-Dieter Wehrstedt 9.1 Introduction Governing Equations Turbulence Modeling Combustion Modeling Radiation Modeling CFD Simulation 144

4 XII Contents 9.7 Results and Discussion Flame Temperature Surface Emissive Power (SEP) Irradiance Critical Thermal Distances Conclusions CFD The Future of Safety Technology? 154 References Modeling Fire Scenarios and Smoke Migration in Structures 159 Ulrich Krause, Frederik Rabe, and Christian Knaust 10.1 Introduction Hierarchy of Fire Models Balance Equations for Mass, Momentum, and Heat Transfer (CFD Models) Zone Models Plume Models Computational Examples Isothermal Turbulent Flow through a Room with Three Openings Buoyant Non-Reacting Flow over a Heated Surface Simulation of an Incipient Fire in a Trailer House Simulation of Smoke Migration Conclusions CFD The Future of Safety Technology? 175 References 177 Part Four CFD Tomorrow The Way to CFD as a Standard Tool in Safety Technology The ERCOFTAC Knowledge Base Wiki An Aid for Validating CFD Models 181 Wolfgang Rodi 11.1 Introduction Structure of the Knowledge Base Wiki Application Challenges (AC) Underlying Flow Regimes (UFR) Content of the Knowledge Base Interaction with Users Concluding Remarks CFD at its Limits: Scaling Issues, Uncertain Data, and the Users Role 189 Matthias Münch and Rupert Klein 12.1 Numerics and Under-Resolved Simulations 190

5 Contents XIII Numerical Discretizations and Under-Resolution Turbulence Modeling Reynolds-Averaged Navier Stokes (RANS) Models Large Eddy Simulation (LES) Models Uncertainties Dependency of Flow Simulations on Uncertain Parameters: Basic Remarks Polynomial Chaos and Other Spectral Expansion Techniques Theory and Practice Reliability of CFD Program Results Verification and Validation The Users Influence Examples Users Choice of Submodels Influence of a Models Limits of Applicability The Influence of Grid Dependency Influence of Boundary Conditions Conclusions 208 References Validation of CFD Models for the Prediction of Gas Dispersion in Urban and Industrial Environments 213 Michael Schatzmann and Bernd Leitl 13.1 Introduction Types of CFD Models Validation Data Validation Data Requirements Analysis of Data from an Urban Monitoring Station Wind Tunnel Experiments Summary 229 References CFD Methods in Safety Technology Useful Tools or Useless Toys? 233 Henning Bockhorn 14.1 Introduction Characteristic Properties of Combustion Systems Ignition of Flammable Mixtures Ignition Delay Times Laminar Flame Velocities Turbulent Flame Velocities Practical Problems Mixing of Fuels with Air in Jet-In-Cross-Flow Set-ups Chemical Reactors for High-Temperature Reactions Outlook 256 References 257

6 XIV Contents Part Five Dynamic Systems Are 1D Models Sufficient? Dynamic Modeling of Disturbances in Distillation Columns 261 Daniel Staak, Aristides Morillo, and Günter Wozny 15.1 Introduction Dynamic Simulation Model Column Stage Balance Equations Phase Equilibrium Incoming Vapor Flow Outgoing Liquid Flow Additional Equations Relief Device Case Study CFD- The Future of Safety Technology? Nomenclature 272 References Dynamic Process Simulation for the Evaluation of Upset Conditions in Chemical Plants in the Process Industry Introduction Dynamic Process Simulation for Process Safety Application of Dynamic Process Simulation Rectification Systems General Verification of the Dynamic Process Simulation Process Safety-Related Application of a Dynamic Process Simulator Hydrogen Plant General Model Building and Verification of the Dynamic Process Simulation Conclusion Dynamic Process Simulation The Future of Safety Technology? The Process Safety Toolbox The Importance of Method Selection for Safety-Relevant Calculations 295 Andy Jones 17.1 Introduction The Process Safety Toolbox Flow through Nitrogen Piping During Distillation Column Pressurization Initial Design Based on Steady-State Assumptions Damage to Column Internals 297

7 Contents XV Dynamic Model of Nitrogen Flow Rates and Column Pressurization Tube Failure in a Wiped-Film Evaporator Tube Failure A Potentially Dangerous Overpressurization Scenario Required Relieving Rate Based on Steam Flow An Unsafe Assumption Required Relieving Rate Based on Water Flow An Expensive Assumption Dynamic Simulation of Wiped-Film Evaporator An Optimal Solution Phenol-Formaldehyde Uncontrolled Exothermic Reaction Assumptions Regarding Single-Phase Venting Will Two-Phase Venting Occur? Effect of Disengagement Behavior on Required Relieving Rate and Area Computational Fluid Dynamics Is It Ever Necessary? Design of Storage Tanks for Thermally Sensitive Liquids Dispersion of Sprayed Droplets during Application of a Surface Coating Dispersion of Heat and Chemical Substances Computational Fluid Dynamics The Future of Safety Technology? 309 References CFD for Reconstruction of the Buncefield Incident 313 Simon E. Gant and G.T. Atkinson 18.1 Introduction Observations from the CCTV Records Progress of the Mist Wind Speed Final Extent of the Mist What Was the Visible Mist? CFD Modeling of the Vapor Cloud Dispersion Initial Model Tests Vapor Source Term CFD Model Description Sensitivity Tests Grid Resolution Turbulence Ground Topology Hedges and Obstacles Ground Surface Roughness Summary of Sensitivity Tests Final Dispersion Simulations 325

8 XVI Contents 18.4 Conclusions CFD: The Future of Safety Technology? 328 References 329 Part Six Contributions for Discussion Do We Really Want to Calculate the Wrong Problem as Exactly as Possible? The Relevance of Initial and Boundary Conditions in Treating the Consequences of Accidents 333 Ulrich Hauptmanns 19.1 Introduction Models Leaks Leak Size Geometry of the Aperture Discharge of a Gas Filling Ratio Duration of Release Ambient Temperature and Pressure Atmospheric Dispersion Wind Speed Eddy Coefficient Health Effects Case Study Deterministic Calculations Sensitivity Studies Probabilistic Calculations Conclusions 345 References Can Software Ever be Safe? 349 Frank Schiller and Tina Mattes 20.1 Introduction Basics Definitions General Strategies Perfect Systems Fault-Tolerant Systems Error-Tolerant Systems Fail-Safe Systems Software Errors and Error Handling Software Development Errors Errors in Software Development Process Models for Software Development Errors and Methods concerning Errors in Source Code 358

9 Contents XVII Errors in Source Code Methods for Preventing Software Errors Potential Future Approaches CFD - The Future of Safety Technology? 367 References CFD Modeling: Are Experiments Superfluous? 369 B. Jörgensen and D. Moncalvo References 371 Index 373

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