DIP_03

1. DIP_03.ppt • Rigorous definition: Basic Forms I • Setup. • Components. • Databanks • Selection • User Defined

2. Setup: Specifications • Defaults values for the simulation file. These values may be modify later locally. • Specifications: • Title • Description • Run type • Stream class • Simulation Options • Unit-Sets • Report Options

3. Setup: Specifications: Run Type

4. Setup: Specifications: Stream Class • Stream classes are characterized by the substreams within it. /Setup /Substreams: Substreams • Substream types: MIXED, CISOLID y NC, where the last two also have the characteristic of PSD. MIXED: Conventional components that reach vapor-liquid-solid phase equilibrium CISOLID: Conventional solids are pure materials. These solids may be present in mixtures in phase and/or chemical equilibrium, including electrolyte salts. For example, NaCl can be a conventional solid precipitating from an electrolyte solution. These solids are present in the MIXED substream. Conventional solids are characterized in terms of properties, such as:· Molecular weight, Vapor pressure, Critical properties. Conventional solids that do not participate in phase equilibrium calculations are conventional inert solids, and are assigned the substream type CISOLID to distinguish them from other conventional solids NC: Nonconventional solids are materials characterized in terms of empirical factors called component attributes (Moisture, Fixed carbon, Volatile Matter, Ash, ...). Component attributes represent component composition by one or more constituents. Nonconventional solids never participate in phase or chemical equilibrium calculations. Aspen Plus always assigns substreams of type NC to nonconventional solids. Examples of nonconventional solids are coal and wood pulp.

5. Setup: Simulation Options • Simulation Options: • Calculations: Use results from previous convergence pass. • Flash: P and T limit values and maximum number of iterations. • Limits.

6. Setup: Unit Sets • Units sets: new set from a previous one. • Note: available Units Sets are defined on the initial chosen Template Copy from: METCBAR Heat /Enthalpy flow = kW

7. Setup: Report Options • General: Items to be included in the report file (flowsheet, properties,...). Specific items are detailled in the ‘Flowsheet’ tab. • Stream: reported information of streams • Flow basis: Mole/Mass/Std.Liq.Volume • Fraction basis • Stream format: GEN_M • Buttons: Property Sets. • Property: • All physical property parameters used • Property parameters descriptions, equations and sources of data. • EXAMPLE: • Report Options: Stream: • Fraction basis: Mole • Property sets: THERMAL

8. DIP_02b Benzene recovery Economic Potential calculation BENZENE (and MCB): 0.32 €/kg Electric distribution: 0.08 €/kw-h

9. BENZENE RECOVERY Economic Potential calculation BENZENE (and MCB): 0.32 €/kg Electric distribution: 0.06 €/kw-h Recovered BENZENE Flow = 1.915 kmol/h = 149 kg/h Income= 47.5 €/h Recovered MCB Flow = 0.273 kmol/h = 31.0 kg/h Income = 9.8 €/h TOTAL INCOME = 57.3 €/h COMPRESSION Power = 99.1 kW Cost = 5.9 €/h Cost of equipment = 1 039 545 $COMPRESSOR + 18 183 $MOTOR = 1 115 742 $ Cost = 10.8 €/h (recovery period 10 years) TOTAL COST = 40.5 €/h ECONOMIC POTENTIAL = 43.3 €/h

10. DIP_02c Separation of liquid stream components in a distillation tower.

11. DIP_02d

12. Reinit • Run • Review Control Panel

13. Componentes: ‘Databanks’ • Pure component parameters are read from databanks, in the order they appear in the form: • /Components /Specifications /Databanks

14. Components: Selection • /Components /Specifications /Selection • Component ID • Type: • Conventional: Pure materials. Solids present in mixtures in phase and/or chemical equilibrium, including electrolyte salts. Present in the MIXED substream. • Solid: conventional solids characterized in terms of properties, such as MW, vapor pressure, critical properties,... • Nonconventional: Nonconventional solid components are materials that are not pure chemical species, such as coal. Nonconventional components are characterized in terms of empirical factors referred to as component attributes. • Pseudocomponent • Assay • Blend • Hypothetical-liquid: in metallurgy. • /Components / Henry-Comps

15. Components: User Defined Define o-dichloro-benzene (ORTOESTI) as a new component, not included in the databank. Compare vapour pressure predicted values with those from the component in the databank (ORTOBASE). • EJEMPLO: DIP_03.apw • Template: General with metric Units • RunType: Property Estimation • Components: • Component in databank: ORTOBASE • [User Defined] • ID: ORTOESTI • Formula: C6H4CL2 [Next] [Next] • 1: Molecular structure. (Exit) • Estimate all missing parameters from molecular structure: ON. • [Finish] • [Next] [Run] • Check estimated values: (pure and binary): /Properties /Estimation /Results

16. Run Type: Flowsheet • Properties: NRTL • /Tools /Analysis /Property /Pure [OK] • Complete the form. [Go]

17. Repeat property estimation adding the experimental boiling temperature: 180.4ºC • /Data /Properties /Parameters /Pure components: Delete all folders • /Data /Component: Select ORTOESTI • [User Defined] • [Next] [OK] • Normal boiling point: 180.4ºC • Estimate all missing parameters from molecular structure: ON. • [Next] [Finish] • [Next] [Run] • /Tools /Analysis /Property /Pure [OK] • Complete the form. [Go]