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CHEMCAD Seminar Reactions John Edwards, P&I Design Ltd January 2015

CHEMCAD Seminar Reactions John Edwards, P&I Design Ltd January 2015. www.chemstations.com. REACTIONS CHEMCAD MODELS. SIMULATION SUITE. CHEMCAD SOFTWARE. www.chemstations.com. www.chemcad.co.uk. Kinetic - Plug flow reactor - Continuous stirred tank reactor

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CHEMCAD Seminar Reactions John Edwards, P&I Design Ltd January 2015

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  1. CHEMCAD Seminar Reactions John Edwards, P&I Design Ltd January 2015 www.chemstations.com

  2. REACTIONS CHEMCAD MODELS SIMULATION SUITE CHEMCAD SOFTWARE www.chemstations.com www.chemcad.co.uk Kinetic - Plug flow reactor - Continuous stirred tank reactor Stoichiometric - Single stoichiometric reaction Gibbs - Minimizes Gibbs free energy at equilibrium - Combustion process - Fast reactions Equilibrium - Reactions with specified conversions

  3. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS KINETIC REACTORBIO-MASS OXIDATION REACTION Section 7 page xxx, Case 7.07 (Edition 3) Exercise Objectives Stoichiometric reactor to simulate a bio-mass process Process Description Glucose and benzene degradation to form a biomass, carbon dioxide and water Some of the biomass will decay. The reactions are as shown. Simulation Isothermal at 25°C mass bases stoichiometry with user based specified rate equations Continuous stirred tank reactor (CSTR) with volume 1698 m3 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  4. CRYOGENIC BATCH REACTOR OPTIMISATION REACTOR SEMINARBIO-MASS KINETIC OXIDATION REACTION www.chemstations.com www.chemstations.net www.chemcad.co.uk

  5. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS STOICHIOMETRIC REACTORUSER SPECIFIED FUEL CELL Exercise Objectives 1. Stoichiometric reactor to generate H2 from H2O = H2 + 0.5O2 2. User UnitOp carries out two reactions H2 → 2H+ +2e− + O → H2O ∆q=48.7 kJ/mol (Faraday = 96485 coulomb or amp sec 1 mol/sec = 3.6 kmol/h = 96485 amp/cell) 3. Controllers to drive reaction rate and cell power output www.chemstations.com www.chemstations.net www.chemcad.co.uk

  6. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS STOICHIOMETRIC REACTORUSER SPECIFIED FUEL CELL Section 15 page 513 Case 15.03 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  7. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBS REACTORANTHRACITE GASIFICATION Exercise Objectives Create combustion solid user component Set up Gibbs reactor for coal gasification • Process Description • Gasify anthracite coal in presence of oxygen using Gibbs Reactor • Reaction Phase Vapor or mixed phase • Operating isothermally at 800°F and 14.7 psia • Specify solids Carbon Anthracite Silicon Dioxide • 2. Gases cooled to 230°F Case Data Coal Specification MW 500 Composition (weight %) C 83 H 2.5 O 3.0 S 0.5 N 0.9 Si 10.1 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  8. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBS REACTORANTHRACITE GASIFICATION New component composition as weight % Reactor Component Element Matrix converts to stoichiometric values Solid heat capacity changes with temperature mean value used www.chemstations.com www.chemstations.net www.chemcad.co.uk

  9. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBS REACTORANTHRACITE GASIFICATION www.chemstations.com www.chemstations.net www.chemcad.co.uk

  10. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBS WITH EQUILIBRIUMCOAL GASIFICATION & SYNGAS PRODUCTION Section 16 page xxx Case 16.07 Edition 3 Exercise Objectives Create combustion solid user component Gibbs reactor for coal gasification Component separator to remove slag SCDS column to cool and scrub gases Equilibrium reactor for gas shift reaction • Process Description • Gasify coal in presence of oxygen using Gibbs Reactor in Reaction Phase Vapor or mixed phase whilst operating isothermally at 2400°F and 812 psia • Separate SiO2 slag in Component Separator split basis 0.466 • Cool to 1100°F and scrub hot gas in SCDS column based on VLE model • Equilibrium reactor carries out the water gas shift reaction (WGSR) • CO + H2O ↔ CO2 + H2 isothermally at 410°F with approach fraction 1.0 • 4. Gases cooled to 100°F Coal Specification (weight %) MW 500 C 69.56 H 25.11 N 0.502 Cl 0.046 S 0.44 O 2.42 Si 1.94 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  11. CRYOGENIC BATCH REACTOR OPTIMISATION COAL GASIFICATION USER COMPONENT COMBUSTION SOLID Section 15 page 513 Case 15.03 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  12. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS COAL GASIFICATION FLOWSHEET Section 15 page 513 Case 15.03 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  13. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBSGAS TURBINE SIMULATION www.chemstations.com www.chemstations.net www.chemcad.co.uk

  14. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBSGAS TURBINE SIMULATION Section 16 page xxx Case 16.06 Edition 3 www.chemstations.com www.chemstations.net www.chemcad.co.uk

  15. CRYOGENIC BATCH REACTOR OPTIMISATION REACTIONS GIBBSGAS TURBINE SIMULATION Section 16 page xxx Case 16.06 Edition 3 www.chemstations.com www.chemstations.net www.chemcad.co.uk

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