Analysis of Degrees of Freedom

Objectives: 1. Identify stream variables entering and leaving a unit; identify variables that describe the unit. 2. Determine the number of independent equations for each unit. 3. Calculate the degrees of freedom or number of decision variables. 4. Specify the values of variables equal to the number of degrees of freedom.
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Posing the Problem

To obtain a solution to a process model, we need to formulate a well-posed problem. The degrees of freedom (DOF) are the variables in a set of independent equations which must have their values assigned. DOF = # variables - # equations N d = Nv - N c Equations include material and energy balances, unit constraints, composition constraints.
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Important process variables

temperature pressure mass (mole) component flow rates concentration and total flow rates specific enthalpies heat flow work flow ratios (e.g. recycle, feed/product, reflux)
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Defining Stream Variables

To define the state of a stream with Nsp species:
F, xi, T, P ni or mi, T, P
UNIT

The number of variables to describe a stream is given by: Nv = Nsp +2

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Constraints and balances

1. independent material balances for each species or a total flow balance and (Nsp-1) species balances 2. energy 3. phase equilibrium relationships that link the compositions between phases 4. chemical equilibrium relationships 5. implicit constraints, e.g. a species concentration is zero 6. explicit constraints, e.g. a given stream fraction is condensing
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Example - water heater

2 1 3

In each stream, j =1,2,3, we have : j n water, njair, Tj, Pj The heater is isothermal, isobaric, with heating Q.

DOF- Water heater

Number of variables: 3 (Nsp +2) Q Number of constraints: Material balances (Nsp) Energy Phase equilibrium (water) Isothermal spec (T1=T2=T3) Isobaric spec (P1=P2=P3) 12 1 13 2 1 1 2 2 8

Nd = 13 - 8 = 5 DOF We can choose 5 variables and specify them to have a wellposed problem. Q? Can we specify any 5 variables arbitrarily?
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Stream Splitter (adiabatic)

Nv : Nc : Stream variables 3(Nsp+2) Material balance Composition spec Temperature spec Pressure spec 1 2(Nsp - 1) 2 2

Nd={3(Nsp+2)} {2Nsp+3}= Nsp+3 Q? Give an example specification for a well-posed problem.

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Mixer (not adiabatic)

Nv : Nc : Stream variables Heat gain/loss (Q) Component balance Energy balance 3(Nsp+2) 1 Nsp 1

Nd = {3(Nsp+2) + 1} - {Nsp+1} = 2Nsp+6 Q? Give example specification for a well-posed problem.

Heat exchanger (not adiabatic)

Nv : Nc : Stream variables Heat gain/loss (Q) Flow balance Energy balance Composition spec 4(Nsp+2) 1 2 1 2(Nsp-1)

Nd = {4(Nsp+2) + 1} - {2Nsp+1} = 2Nsp+8 Note: model assumes you have total flows for each stream (F) and mass/mole fractions for components (xi).

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Heat exchanger (not adiabatic)

Give example specification for a well-posed problem for Nsp = 2. What would change in the model if the number of components in each stream is not the same? Heat exchangers do have hydraulic pressure losses on the shell and tube sides. How would we incorporate this information into the model?
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Pump
Nv : Nc : Stream variables Work (W) Flow balance Energy balance Composition spec Nd = {2(Nsp+2) + 1} - {Nsp+1} = Nsp+4 Note: model assumes you have total flows for each stream and mass/mole fractions for components. Q? Give example specification for a well-posed problem.
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2(Nsp+2) 1 1 1 Nsp-1

Flash tank (single phase streams)

Nv : Nc : Stream variables Heat (Q) Component balance Energy balance Phase equilibrium Temperature (exit) Pressure (exit) 4(Nsp+2) 1 Nsp 1 Nsp Q 1 1

Nd = {4(Nsp+2) + 1} - {2Nsp+3} = 2Nsp+6

Note: model assumes you have component flow rates.

Q? Give an example specification for a well-posed problem.

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Reactions
If reactions are present, the number of variables stays the same, but the number of material balances depends on the number of independent material balances, not species. CO + H2O CO2 + H2 xH2 1 2 3 4 0.0 0.5 0.0 ? xCO 0.20 0.5 0.0 0.0 xCO2 0.02 0.0 0.0 ? xN2 0.78 0.0 0.0 ? xH2O 0.0 0.0 1.0 ?
1 2 3

Q
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Flow of stream 1 = 100 moles/s; Number of species = 5

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Nv : Nc:

Stream variables Energy (Q) Elemental balances Energy Isothermal streams Isobaric streams Stream 1 variables Stream 2 variables Stream 3 variables Stream 4 variables Excess water flow spec

4(Nsp+2) 1 4 1 3 3 11 5 4 4 1 1 15 26
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Nd = 29 26 = 3 Typical specifications: T,P, plus two flows or component ratios.

Combinations of units: mixer and flash

5 1 2 Qm 3 4 Qs 6

Mixer: N v: N c: Nd :

3(Nsp+2) + 1 Nsp + 1 2Nsp + 6

Separator: Nv: Nc: Nd :

3(Nsp+2) + 1 2Nsp + 5 Nsp + 2

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Sum of DOF of individual units

Nd = 3Nsp+8 Less redundant variables Stream3 = Stream4 Remove 1 heat flow and constraints: Need one energy balance Total DOF: Nd = {3Nsp+8} {Nsp+3} Nsp+2 1 1

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Example: Ammonia Plant

7 PURGE
5 S E P A R A T O R

MIX 1 2

REACTOR 3

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Species: N2, H2, Ar, NH3 Specifications: Stream 1: T, P, no NH3 (counted in mixer) Stream 2: no NH3, P Stream 3: P Stream 4: T, P, pure NH3 Stream 6: T, P, no NH3 Adiabatic reactor

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Individual unit DOF: Mixer Reactor Separator Purge Total 6 3 6 4 19 -24 9 4

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Less connecting streams Add redundant specifications Total DOF

Overall view Nv: Nc: 3(Nsp+2) +1 Material balance (N,H,Ar) Energy balance Feed stream Ammonia product Purge stream Nd = 4 19 3 1 3 5 3

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