Reg. No. : Question Paper Code : 50360 B.E/B.Tech, DEGREE EXAMINATION, NOVEMBER/DECEMBER 2017 Seventh Semester Chemical and Electrochemical Engineering CH 6751—PROCESS MODELING AND SIMULATION (Regulations 2013) ‘Time : Three Hours Maximum : 100 Marks erage 10. Answer ALL questions PART-A (10x2=20 Marks) Define optimum sloppiness of a process model. List the uses of the mathematical model. Estimate the degrees of freedom for the following modeled equations 0.1F+03D=02P 0.9F+0.7D=08P F+D=P Can we solve these equations for F, D and P ? Explain why not. List the advantages and disadvantages sequential modular approach based process flow sheeting. Draw the information flow diagram for model of liquid level tank. Why partial condenser and reboiler are considered as equilibrium stages ? Distinguish between lumped parameter model and distributed parameter model. What are stiff differential equations ? Give some examples for stiff differential equations. Define momentum boundary layer. Distinguish between stochastic model and deterministic model.‘Me A PART-B (6%16=80 Marks) 11. a) i) A plug flow tubular reactor in which an exothermic chemical reaction takes. In order to remove the heat a cooling medium is provided in the outer jacket as shown in figure, Heat can be transferred from the process fluid reactants and products at temperature T to the metal wall of the reactor at temperature Ty, and subsequently to the cooling water. Develop the energy equation for the process fluid. (10) 50360 Cooling water in | — ai — _ 2 Costing water out ii) Explain in detail about principles of formulation of mathematical models. (6) (OR) b) i) Develop the component continuity equation for a reaction which takes place in CSTR with 1) Simultaneous reactions (first order, isothermal) A—>B—>C 2) Reversible (first order, isothermal) AB 10) ii) Explain in detail about classification of model based on functional relationship between input and output variables, based time varying and position varying behavior of parameters and uncertainty of process variables. (6) 12. a) Consider a simple process flow sheet which comprises four functional units such as two mixers, a reactor and a separator (as shown fig.) You 3H Ya i) Develop the model equations and connection equations for this flow sheet. ii) Develop step by step procedure to simulate the process flow sheet using equation solving approach. (4412) (OR)b) 13. a) b) Il} * 50360 The gas phase dehydrogenation of isobutane to isobutene C Hyp ——> CH + Hy is carried out in a continuous reactor. A stream of pure isobutane (the fresh feed to the process) is mixed adiabatically with a recycle stream containing 90 mol% isobutane and the balance isobutene and the combined stream goes to a catalytic reactor. The effluent from this process goes through multistage separation process : one product stream containing all of the hydrogen and 10% of isobutane leaving the reactor as well as some isobutene is sent into another part of the plant for additional processing and the other product stream is recycled to the reactor. The single pass isobutane conversion in the reactor is 35%. The process flow chart for a fresh feed of 100 mol isobutane is shown below. For the simplicity, the symbol A will be used to denote isobutane, B denotes isobutene and C denoted hydrogen. All the streams in the figure are gases. On the flow chart Q, is the required rate of heat transfer to the reactor and Q, is the net rate of heat transfer to the separation process. 100 mol As, 20°C Reactor parator > nono) (0.9 mol Afnol 0.1 ol Bm asc a) Estimate the degrees of freedom for the process. ) b) Convert the flow chart into a block diagram for a sequential modular simulation, using blocks MIX, REACT, SEP and a convergence block CONVG. (a0) i) Develop the mathematical model for a continuous, jacketed flow boiling system in which the feed is supplied as a liquid and product is withdrawn as vapour. List out the assumptions made while developing model and represent the model using basic integration block diagrams. (a3) ii) List out the various methods that are used to solve ODEs. (3) (OR) Consider 1-D steady state conduction without heat generation taking place in a rectangular slab. The temperature of the left side of the slab is 100°C and of the right side is 50°C. The length of the slab is 1m and the thermal conductivity of the slab is 120 W/(em-k). Take A x = 0.1 m, Determine the temperature distribution in the slab and list the tridiagonal set of equations. The governing a ar equation is a ax? (16)50360 + 14. a) Develop the mathematical model 10 stage binary distillation column for dynamic simulation such that terminal compositions of the column can be controlled and state all the assumptions made in the formulation of model. (16) (OR) b) A fin of diameter 0.02m and length 0.08 is attached to a wall. The temperature 15. a) of the wall is 200°C. List the tridiagonal set of equations and determine the temperature of the fin at x = 0.02, 0.04, 0.06, 0.08 m. The thermal conductivity of rod is 25W/m-k and convective heat transfer coefficient from rod to surroundings is 40W/m*-k. The temperature of surroundings is 25°C. The ao hy governing differential equation is ~5 5 + Zz 0=0, where 0=T-Tyy,, and doh boundary condition at x= 0.08mis G+; 0=0 (16) i) Consider a reaction AB carried out in the plug flow reactor. The differential equation for species A along the length of the plug flow reactor of length 10 ac, meter is "7 A= ~Koq. The initial condition is at x= 0 (inlet), C, =1 mom? A fluid medium comprising initially only A flows through the reactor with a mean axial velocity u= 1m/s. The rate constant of the reaction is 1s!. Using the Runge — Kutta fourth order method, determine the concentration of A along the length of the plug flow reactor up to 10m. (a2) ii) List the three classes of PDE encountered in process engineering applications with examples. (4) (OR) ») Consider the reaction A-»B carried out in a steam heated heat exchanger reactor. Reactor A is fed at the rate of 1.26kg/s per tube. The feed consisting of pure A enters the reactor at a temperature of 21°C. It is desired to determine the height of reactor required for 90% conversion of A. The internal diameter of the reactor tubes may be taken as 2.54cm. Steam at 388.71 K is available for heating purposes. The rate constant of the first order reaction is given by = 108847 k = 5.64x10!5 oo 20082) where T is in Kelvin. Take the following parameters : R= 8.314J/mol. K, p = 980.9kg/m®, molecular weight of reacting stream, M = 200g/mol, heat transfer coefficient based on inside area of reactor tube, U = 1900w/m?. k, Cp = 15.73/kg.k, 4 Han = heat of reaction to be independent of temperature. (16)ap. CODE [s 0 ale 0 B.E/ B.Tech EXAMINATIONS, NOV/DEC 2017 Vil SEMESTER CH6751 & PROCESS MODELLING AND SIMULATION - KEY (Regulation 2013) Time : 3 Hours Answer ALL Questions Max. Marks 100 PART-A (10 x 2 = 20 Marks) 1, | The model should be only as detailed as necessary for the goals of the study for which it is constructed. A process model with optimum sloppiness can be developed starting with a very simple model and concluding with the version in which the refinements to the value of the optimum attained approach the accuracy of the data incorporated in the model. This simple rule states that “one should use all the precision in the world where it is required but be sloppy where great effort is not required and be better spent elsewhere.” 2. | Research and Development: Determining Chemical Kinetic mechanisms, Optimization and control studies, Scale up using pilot plant or laboratory data Design: Exploring the sizing and arrangement of process equipment, studying interactions of various parts of the process, evaluating alternative process and control structures, Process plant simulation Plant Operations: Optimization, De-bottlenecking studies, aiding in startup and operator training It is usually cheaper and safer to conduct the studies listed above on the mathematical model than experimentally in an operating unit 3. | Number of unknowns: 3 Number of Independent equations: 2 Degrees of freedom: 1 The system is under specified. Either F, D or P value should be specified to solve the equations. 4. | Advantages of sequential modular approach: i)Flow sheet architecture is easily understood as it closely follows the process flow diagram, ii)The unit blocks can be easily added or removed from the flowsheet ili)The models of the different units can be prepared and tested separately iv)User input data can be easily checked for completeness and consistency v)Easy control of convergence both at the unit and flowsheet level. Disadvantages of sequential modular approach: i) They are less suited for dynamic simulation, optimization or design since an iterative procedure is required to meet the constraints increasing computation time. ii)Present difficulties with flow sheets involving a large number of recycles causing convergence issues | iin - built directionality from inlets to outlets makes product specifications difficult.ay A dzidt = F1- F2 F2 where F1 and F2 are flow rates, A is the Area of the tank and z is the level of liquid inside the tank In @ partial condenser the reflux will be in equilibrium with the vapour leaving the condenser. Hence it is considered as an equilibrium stage. If the liquid is partially vapourized in the reboiler and fed to the bottom of the column a vapour and liquid in equilibrium is produced. In this case the reboiler is considered equivalent to a theoretical equilibrium stage. The lumped parameter model simplifies the description of the behaviour of spatially distributed physical systems into a topology consisting of discrete entities that approximate the behaviour of the distributed system under certain assumptions. Model equations are ordinary differential equations, Adistributed parameter model is a system whose state space is infinite-dimensional. Such systems are therefore also known as infinite-dimensional systems Model equations are partial differential equations. A stiff equation is a differential equation for which certain numerical methods for solving the equation are numerically unstable unless the step size is taken to be extremely small. These are initial value problems in which the truncation error is so large that the solution is not acceptable. Examples: Mass spring system with a large spring constant, Reaction -diffusion systems Momentum boundary layer is a thin layer close to the wall, where viscous stresses are very prominent within the layer. The main flow velocity tends to become zero as the flow approaches the wall. Momentum thickness is defined as the loss of momentum in the boundary layer as compared with that of potential flow. 10. In deterministic models the output of the model is fully determined by the parameter values and the initial conditions. Deterministic models are built using ODEs and PDEs. They are non- random. In Stochastic models the same set of parameter values and initial conditions will lead to an ensemble of different outputs. Stochastic models are built using probability functions. 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