Modular and Sequential Construction of Complex Process Models

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Modular and Sequential Construction of Complex Process Models – Applications to Process Hazard Assessment

Modular and Sequential Construction of Complex Process Models – Applications to Process Hazard Assessment Mordechai Shacham Dept. of Chem. Engng, Ben Gurion University of the Negev, Beer-Sheva Neima Brauner School of Engineering, Tel-Aviv University, Tel-Aviv Michael B. Cutlip Dept. of Chemical Engineering, University of Connecticut, Storrs

Ø Preparation and debugging of complex process models is a difficult and time-consuming task.

Ø Preparation and debugging of complex process models is a difficult and time-consuming task. Ø Combining the use of several software packages reduces considerably the time and effort required for constructing and debugging the simulation model Ø A complex model is broken down into smaller modules representing one unit operation or one stage of operation. Ø The modules are modeled and tested using a software package that requires minimal technical coding efforts. Ø The debugged modules are compiled to the format required by a more powerful and flexible programming language. Ø Finally the modules are combined to properly represent the complete and complex process model.

Simulation of an Exothermic Batch Reactor Reactants charged initially Temperature transmitter PTT TT Tj

Simulation of an Exothermic Batch Reactor Reactants charged initially Temperature transmitter PTT TT Tj Xs Temperature sensor Cooling water outlet Steam Pstea m, Ws , rs set Pc Temperature X controller T, V, CA, CB, Ac AO TM CM VM r. M Cooling water inlet Xw Tjo , Pj, Cj, Fwo Trap Condensate Wc, Tj Products withdrawn finally Set point generator (”Cam”)

Ø An exothermic liquid-phase reaction A → B → C is carried out in

Ø An exothermic liquid-phase reaction A → B → C is carried out in a batch reactor. Ø After the reactant is charged into the vessel, steam is fed into the jacket to heat the reaction mass up to the desired temperature. Ø Thereafter, cooling water is fed into the jacket to remove the exothermic heat of reaction Ø The objective of the simulation is to study the effects of operation in abnormal conditions: Ø reactant overcharging, failure to control duration of the steam heating, cooling water pipe blockage and cooling water failure of various durations in various phases of the reaction.

Model Equations – Heating Stage – POLYMATH Input

Model Equations – Heating Stage – POLYMATH Input

Constants – Heating Stage – POLYMATH Input

Constants – Heating Stage – POLYMATH Input

Heating Stage – POLYMATH Results

Heating Stage – POLYMATH Results

Model Equations - Cooling Stage – POLYMATH Input

Model Equations - Cooling Stage – POLYMATH Input

Cooling Stage – POLYMATH Results

Cooling Stage – POLYMATH Results

Model Equations - Cooling Stage – MATLAB Function

Model Equations - Cooling Stage – MATLAB Function

Combined Program – MATLAB’s Main Program Heating Period, Stiff Integrator Cooling Period, RK 45

Combined Program – MATLAB’s Main Program Heating Period, Stiff Integrator Cooling Period, RK 45 Integrator

Simulation Program – Changeable Parameters

Simulation Program – Changeable Parameters

Simulation Program – Operation Instructions

Simulation Program – Operation Instructions

Batch Reactor Temperatures – Normal Operating Conditions >> batch_reactor K>> return

Batch Reactor Temperatures – Normal Operating Conditions >> batch_reactor K>> return

Batch Reactor Temperatures – Reactant Overcharging >> batch_reactor K>> CA 0=1. 0; K>> return

Batch Reactor Temperatures – Reactant Overcharging >> batch_reactor K>> CA 0=1. 0; K>> return

Reactant Overcharging – Heating Period Shortening K>> CA 0=1. 0; K>> Theatmax=125; K>> return

Reactant Overcharging – Heating Period Shortening K>> CA 0=1. 0; K>> Theatmax=125; K>> return

CONCLUSIONS Ø The effort involved in construction of simulation programs for complex processes can

CONCLUSIONS Ø The effort involved in construction of simulation programs for complex processes can be reduced using the "modular and sequential" approach. Ø This is achieved by using the most effective software tools for the various tasks. Ø The modules are modeled and tested using a software package that requires minimal technical coding efforts. Ø The executive program, written in a programming language, takes care of the interaction with the user, sequencing and integration of the results and preparing the report Ø Programs available at: ftp: //ftp. bgu. ac. il/shacham/batchsim/