Computer Aided Balance

Dr M. A. A. Shoukat Choudhury
Department off Chemical
BUET, Dhaka – 1000


of equations • DOF = 0 A Unique Solution problem. in some other areas. overspecified problem problem. you made some mistake and wrote more equations than that you are entitled to. of variables – No. you may find DOF>0 where there is no unique solution . probably probably.Degrees of Freedom • DOF = No. However. infinitely many • DOF > 0 underspecified problem solutions • DOF DOF<0 0.

l ti / ti which hi h are called ll d state t t variables. . p y These define the p externally specified variables are called design variables • Once design variables are specified. of variables that should be independently specified to problem completely.DOF (cont (cont’d) d) • DOF signifies the no. the other variables can be calculated from the relations/equations.

Single Process Unit 10. 1 EB) DOF = 3 .1a n1 kg k O2 40 oC n2 kg k O2 n3 kg N2 25 oC Mixer n4 kg O2 n5 kg g N2 50 oC Q.3 relations ( 2 MB. kJ 6 variables (n1 – n5. n5 Q) .10 1a .

Specify variables so that you get a 1) straight-forward t i ht f d solution l ti 2) trial-error solution 3) impossible solution . Perform DOF analysis. their compositions are related by Raoult’s Law..1-1 10. A portion of the mixture evaporates.1 1 A liquid mixture of n-hexane (HX) and n-heptane ((HP)) at a high g p pressure is abruptly p y exposed p to a lower pressure.Example 10. yielding a vapor mixture relatively rich in hexane (more volatile) and a residual liquid mixture relatively rich in heptane. The two product streams are in equilibrium q at temperature p T and p pressure P.

1-1 (cont’d) .Example 10.


Example 10. x1.x2 ) P = (1 . P. x2. p*HP 2 2 2 6 material Balance Raoult’s Law Antoine Equation Equations q DOF = 4 x2 P = x3 p*HX (1 . p*HX . T. n2. n3.1-1 (cont’d) 10 variables . x3.n1.x3 ) p*HP .

Calculate x2 and P can be calculated from Raoult’s Law .n1.Since T is known known.1. x1.Calculate C l l t n2 and d n3 from f componentt balance . x3. Straight-Forward Solution: Specify Design Variables . p*HX and p*HP can be calculated from Antoine Equation . T .

Straight-Forward Solution (cont’d): .1.

Trial and Error Solution 3.2. n2.n1. n3 and T . Impossible Solution .

Draw and completely label the flow-chart 2. . Calculate number of tie variables 4.10. Determine the overall degrees of freedom.1b Multiple Unit Process Ap process that contains two or more interconnected units has fewer degrees of freedom than the sum of the degrees of freedom of the individual units Steps: 1. it mixing i i point i t and d stream t splitting litti points i t 3. Determine the local degrees of freedom for each process unit. This is equal to the sum of all local dofs minus number of tie variables.

Example of Multiple unit Process .

the required heat duties for all process units.Example 10. and the temperature of combined feed stream to the reactor per heater . partially condensing the methanol product. Ideal gas behavior may be assumed.0 MPa. An overall CO conversion of 98% is achieved.1-2 DOF Analysis of a Multiple-Unit Process Methanol may be produced from carbon monoxide and hydrogen in the reaction CO+2H2→CH3OH Th fresh The f h feed. i enters the process at a rate of 2.0 MPa and combines adiabatically with a recycle stream.2 m3/s at 250C and 6. The gas leaving the condenser is saturated with methanol: 1% is taken off for process monitoring purposes and the remainder is recycled. f d which hi h contains i CO andd H2 in i stoichiometric i hi i proportion. The reactor effluent emerges at the same temperature and is cooled to 00C at P= 6. The ratio of H2 to CO is 2 mol H2/1 mol CO everywhere in the process system. The combined stream is heated to 2500C and fed to the reactor. Carry out a degree-of-freedom degree of freedom analysis for this process and show that the given information is sufficient to allow the calculation of the component flow rates for all streams.

Example 10.1-2 (cont’d) .



• Purge point: 2 variables (n3. n6) 0 balance 2 dof Overall Process DOF: 12 ( Sum of Local DOF) – 11 tie variables – 1 additional relation 0 .

powerful equation solving commercial packages – Maple.Commercial softwares: ASPEN Plus.break-down flow chart in terms of modules .simultaneous solution of a large number of equations (some of them may be nonlinear) can be cumbersome and time consuming . E-Z solve Recently. ICAS. CHEMCAD. HYSIS. Matlab.write the algorithm/subroutine for the module . Mathcad.use the modules as needed to solve the whole problem sequentially . Design II • Equation Based . .Two Approaches of Computer Aided Simulation • Sequential Modular . a combination of the above two approaches are also being used.Equations of all units are collected and solved simultaneously .

contains all the carbon dioxide. The reactor effluent goes to a multiple unit separation process that has three outlet streams streams. The first stream. . oxygen. is pure ethylene oxide. stream. which is sold. which is discarded. and the third stream which is the recycle stream stream. and the combined stream is fed to the reactor. Perform a degrees of freedom analysis for the process and specify the design variables that must be known to solve the problem completely. contains the remaining unreacted ethylene. 2009 The following two reactions occur in an ethylene oxide manufacturing process: 2 C2H4 + O2 = 2 C2H4O C2H4 + 3 O2 = 2 CO2 + 2 H2O A stream containing equimolar amounts of ethylene and oxygen is joined by a recycle stream containing pure ethylene.A Problem from Final Exam of Feb. water and 5% of the unreacted ethylene leaving the reactor. and the second.