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    Material Balance Calculations

    Department of Chemical Engineering

    Based on Notes from Prof. M. Ioannidis

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    Outline

    Single Unit in the Absence of

    Chemical Reactions

    Multiple Units in the Absence of

    Chemical Reactions

    Multiple Units in the Presence ofChemical Reactions

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    1. Single Unit Analysis

    An everyday example

    The Process: Brewing Coffee (technical

    term: leaching)

    The Machinery: Coffeemaker (technical

    term: solid-liquid contactor)

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    Process Description*

    W (water)

    C (Brewed Coffee)

    G (Dry

    Grounds)

    F (Filtered

    Grounds)

    (*) Batch process

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    Stream Description

    One knows everything about a stream if one

    knows: its mass(or mass flow rate forcontinuous processes) andits composition.

    n variables needed to describe a stream withn components. What may these variables

    be?

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    Stream C (two components: WC, GC) needs

    2 variables to describe it.

    The 2 mass fractions: xWCand xGCare a

    poor choice, because xGC+ xWC= 1 (i.e.,

    they are notindependent). Thus, at leastonevariable must be a mass (total or component

    mass).

    Stream Description (contd)

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    To describe stream D, one could use either:

    the total mass Dand any two mass fractions

    (say, xWC

    and xGC

    ), or

    the mass of each component: DWC, DGC, or

    any other combination, exceptxWCand xGC!

    For example, upon findingDWC, DGC, the

    mass fractions are also known:

    xWC

    =DWC

    /(DWC

    + DGC

    ), etc.

    Stream Description (contd)

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    WF, GF

    W

    WC, GC

    G

    Process Description (contd)

    Verify that if you knew G, W, E, WC,GC, WF, and GF one knows everything there

    is to know about the mass and composition of all four streams.

    E

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    To determine unknowns one must solve an

    equal number of independent equations that

    relate them. Around a process unitinvolving ncomponents one can write at

    most nindependentmaterial balance

    equations:Total balanceplus n-1component balances, or

    ncomponent balances.

    Material Balance Equations

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    Suppose one writes:Water balance, W = WF + WC +E

    Coffee Grounds balance, G = GC + GF

    then,Total balance (not independent): G + W = E + C + F

    To solve this problem, one must have no more than

    7 unknowns (because one can write at most 2

    independent equations). The remaining 5 variables

    must be obtained from data. Data are frequently

    interpreted as extra (auxiliary) equations.

    Material Balance Equations (contd)

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    The following equations are not material balances, they are

    auxiliary equations coming from data (as they may be given ina problem statement):

    10% of H20 was lost to evaporation:

    E = 0.1W,

    Coffee contains 1.25% G:

    GC/(GC+WC) = 0.0125,

    Water to Ground ratio:

    100/40 = WF/GF,

    20% of the dry coffee is in the cup of coffee:

    0.2*G = GC,

    Total mass of C

    C = GC + WC

    Data and Auxiliary Equations

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    Thus far, there are 7 independent simultaneous linear

    equations in 7 unknowns (AWis directly available):

    (1)G+ (0)W+ (0)E

    + (-1)GF

    + (0)WF

    + (-1)GC

    + (0)WC

    = 0

    (0)G+ (1)W+ (-1)E+ (0)GF+ (-1)WF+ (0)GC+ (-1)WC = 0

    (0)G+ (-.01)W+ (1)E+ (0)GF+ (0)WF+ (0)GC+ (0)WC = 0

    (0)G+ (0)W+ (0)E+ (0)GF+ (0)WF+ (1)GC+ (0)WC = 2.5

    (0)G+ (0)W+ (0)E+ (100)GF+ (-40)WF+ (0)GC+ (0)WC = 0

    (0.2)G+ (0)W+ (0)E+ (0)GF+ (0)WF+ (-1)GC+ (0)WC = 0

    (0)G+ (0)W+ (0)E+ (0)GF+ (0)WF+ (1)GC+ (1)WC = 200

    Linear_Algebra@Work

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    Alternatively one writes , [M]{X} = {b}, where

    Solution: {X} = M-1{b}

    Excel and Mathcad can both solve linear systems easily...

    Linear_Algebra@Work (contd)

    M

    0

    1

    0

    0.01

    0

    0

    0

    0

    0

    1

    0.99

    0

    0

    0

    0

    0

    1

    0

    0.996

    0

    0

    1

    0

    0

    0

    0.004

    0

    0

    0

    1

    0

    0

    0

    0.2

    0.196

    0

    0

    1

    0

    0

    0.8

    0.196

    1

    0

    0

    0

    0

    0.8

    0.804

    b

    1

    0

    0

    0

    0

    0

    0

    X

    BCG

    BCS

    CCS

    CW

    DCG

    DCS

    DW

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    Analytical clarity

    Ability to investigate what-if scenarios

    Convenient treatment of processes

    involving many streams and many

    components

    Advantages of Matrix Solution

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    2. Multiple Unit Analysis

    1 2

    Two-distillation columnprocess to separate benzene

    (B), toluene (T) and xylene

    (X).

    First column producesoverhead product containing

    mostlyB.

    Second column produces

    overhead product containingmostlyT and bottom product

    containing mostlyX.

    All chemicals (B,T,X) are

    present in all streams.

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    Pretend that you have

    no data.

    One Methodology

    1 2 Then give a unique

    name to each stream.

    F

    A

    C

    D

    E

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    Recall that each stream

    has 3 components

    each stream is fully

    described by 3 variables. Lets use component

    mass flowsto describe

    them.

    There is a total of 15

    unknowns(remember,

    one pretends one has no

    data!)

    One Methodology (contd)

    1 2

    FB, FT, FX

    AB, AT, AX

    CB, CT, CX

    DB, DT, DX

    EB, ET, EX

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    One Methodology (contd)

    1 2

    FB, FT, FX

    AB, AT, AX

    CB, CT, CX

    DB, DT, DX

    EB, ET, EX

    Recall that around each

    unitone can write as many

    independent mass balances

    as the number ofcomponents involved, that

    is 3 balances.

    For unit 1:

    [1]: FB= AB+ CB(B-balance)

    [2]: FT= AT+ CT(T-balance)

    [3]: FX= AX+ CX(X-balance)

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    One Methodology (contd)

    1 2

    FB, FT, FX

    AB, AT, AX

    CB, CT, CX

    DB, DT, DX

    EB, ET, EX

    For unit 2:[4]: CB= DB+ EB(B-balance)

    [5]: CT= DT+ ET(T-balance)

    [6]: CX= DX+ EX(X-balance)

    Total of 6 independent

    mass balances

    Anything more (e.g.,

    overall balance for B):FB= AB+ DB+ EB

    is redundant (to see this

    add equations [1] and [4]!)

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    One Methodology (contd)

    1 2

    FB, FT, FX

    AB, AT, AX

    CB, CT, CX

    DB, DT, DX

    EB, ET, EX

    Observe that without dataone cannot proceed,

    because there is 6

    equations and 15

    unknowns!

    Data can be translated into

    auxiliary equations;one

    needs 9 such equations andone wants them to be

    independent!

    Suppose they give only the

    composition of stream A...

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    One Methodology (contd)

    1 2

    FB, FT, FX

    AB, AT, AX

    (4%B, 91%T, 5%X)

    CB, CT, CX

    DB, DT, DX

    EB, ET, EX

    Knowledge of stream Acomposition allows us to write

    no more than 2 auxiliary

    equations, e.g.,

    [7] AB/(AB+AT+AX) = 0.04[8] AT/(AB+AT+AX) = 0.91

    The following would not be

    independent (why?)

    AX/(AB+AT+AX) = 0.05 Generalize: knowing the

    composition of a stream of n

    components affords us n-1

    auxiliary equations.

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    One Methodology (contd)

    1 2

    FB

    , FT

    , FX

    (35%B, 50%T, 15%X)

    AB, AT, AX

    (4%B, 91%T, 5%X)

    CB, CT, CX

    DB, DT, DX

    (4.3%B, 91.2%T, 4.5%X)

    EB, ET, EX

    Knowledge of the composition ofstreams Fand D would give 4

    additional auxiliary equations:

    [9] DB/(DB+DT+DX) = 0.043

    [10] DT/(DB+DT+DX) = 0.912

    [11] FB/(FB+FT+FX) = 0.35

    [12] FT/(FB+FT+FX) = 0.50

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    One Methodology (contd)

    1 2

    FB

    , FT

    , FX

    (35%B, 50%T, 15%X)

    AB, AT, AX

    (4%B, 91%T, 5%X)

    CB, CT, CX

    DB, DT, DX

    (4.3%B, 91.2%T, 4.5%X)

    EB, ET, EX

    A basisprovides one more

    auxiliary equation, e.g.:

    [13] FB+FT+FX = 100

    The last two auxiliary equations

    may come from knowing that

    stream E contains 10% of B in

    the feed and 93.3% of X in thefeed:

    [14] EB= 0.1FB

    [15] EX = 0.933FX

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    One Methodology (contd)

    Think: Why do one prefer to work with component

    mass flows as our stream variables, e.g., CB, CTandCXfor stream C, and not with total mass flow and

    mass fractions (e.g., C, xCBand xCT) ?

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    One Methodology (contd)

    1 2

    FB

    , FT

    , FX

    (35%B, 50%T, 15%X)

    AB, AT, AX

    (4%B, 91%T, 5%X)

    C, xCT, xCB

    DB, DT, DX

    (4.3%B, 91.2%T, 4.5%X)

    EB, ET, EX

    Suppose we used C, xCBand xCTto describe stream C. Then, the

    mass balances for, say, unit 2

    would be:

    CxCB= DB+ EB(for B)

    CxCT= DT+ ET(for T)

    C(1-xCT-xCB)= DX+ EX(for X)

    This formulation would result

    in non-linearequations

    which are more difficult to

    solve!

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    3. Single Unit Balance with

    Reaction

    4NH3+ 5O24NO + 6H2O

    A (NH3)

    B (Air: O2, N2) C (O2, N2, NO,

    NH3, H2O)

    NOTE: Since no data are available at this stage, one must

    assume that allreactants and products are present in the

    effluent stream (8 stream variables)

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    If Xis the number of ammonia moles that reacted:

    Ammonia: CNH3 = ANH3- X

    Nitrogen monoxide: CNO= X

    Oxygen: CO2= BO2- (5/4)X

    Nitrogen: CN2= BN2

    Water: CH2O= (6/4)XTo the 8 stream variables one must add the extent of

    reaction, i.e., one has 9 unknowns and 5 equations

    from mass balances (one for each chemical species)

    Mass balances using the extent of

    reaction...

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    In addition to the 8 stream variables, the extent of reaction is

    a also an unknown, i.e., one has 9 unknowns and only 5

    equations from mass balances (one for each of the 5

    chemical species). One needs 4 auxiliary equations

    before the problem can be solved. These may be:

    Onefrom the basis: e.g.,100 mol of NH3 feed Onefrom the composition of stream B (why not two?)

    Onefrom knowledge of NH3 fractional conversion

    Onefrom knowledge of the percent excess air

    Auxiliary equations from data...