05 Modeling Dynamic and Static Behavior of Chemical Processes

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    Modeling Dynamic and Static

    Behavior of Chemical Processes

    Cheng-Liang ChenPSELABORATORY

    Department of Chemical EngineeringNational TAIWAN University

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    Chen CL 1

    State Variables and State Equations

    - State Variables:A set of fundamental dependent quantities whose values

    will describe the natural state of a given system

    (temperature, pressure, flow rate, concentration )

    - State Equations:

    A set of equations in the state variables above which

    will describe how the natural state of a given system

    changes with time

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    Chen CL 2

    Principle of Conservation of A Quantity S

    S =

    total massmass of individual components

    total energy

    momentum

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    Chen CL 3

    accumulation of S

    within a system

    time period=

    flow of S

    in the system

    time period

    flow of S

    out the system

    time period

    +

    amount of S generated

    within the system

    time period

    amount of S consumed

    within the system

    time period

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    Chen CL 4

    - Total Mass Balance:

    d(V)

    dt

    = i:inlet iFi j:outlet jFj

    - Mass Balance on Component A:

    dnAdt

    = d(cAV)dt

    =i:inlet

    cAi

    Fi

    j:outlet

    cAj

    Fj rV

    -

    Total Energy Balance:dE

    dt=

    d(U + K+ P)

    dt=i:inlet

    iFihi

    j:outlet

    jFjhjQWs

    C C

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    Chen CL 5

    Mathematical ModelA Stirred Tank Heater

    - Mathematical model of a process

    = state equations with associated state variables

    Ch CL 6

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    Chen CL 6

    - Total mass in tank: V = Ah

    - Total energy of liquid in tank:

    E = U + K+ PdU

    dt

    dH

    dt;

    dK

    dt=

    dP

    dt= 0

    H = Ahcp T Tref- State variables: h, T

    - Total mass balance:

    d(Ah)

    dt= Fi F

    =c

    A

    dh

    dt = Fi

    F

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    Ch CL 8

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    Chen CL 8

    - Summary: State equations

    Adh

    dt= Fi F

    AhdT

    dt= Fi (Ti T) +

    Q

    cp

    -Summary: variables

    state variables: h, T

    output variables: h, T

    disturbances: Ti, Fi

    manipulated variables: Q, F

    parameters: A,,cp

    Ch CL 9

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    Chen CL 9

    Mathematical ModelA Stirred Tank Heater (cont)

    - Assumed initial steady states:

    0 = Adh

    dt= Fi,s Fs

    0 = AhdT

    dt= Fi,s (Ti,s Ts) +

    Qscp

    Chen CL 10

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    Chen CL 10

    - Temperature response to a step decrease in inlet temperature:

    - Dynamic response to a step decrease in inlet flow rate:

    Chen CL 11

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    Chen CL 11

    Additional Element:Transport Rate Equations

    - Transport Rate Equations:

    To describe rate of mass, energy, and momentum transfer between

    a system and its surroundings

    - Example: a stirred tank heater

    heat supplied by steam:

    Q = U At (Tst T)

    Chen CL 12

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    Chen CL 12

    Additional Element:Kinetic Rate Equations

    - Kinetic Rate Equations:

    To describe rates of chemical reactions taking place in a system

    -

    Example: a 1st-order reaction in a CSTR reaction rate equation:

    r = k0eE/RTc

    A

    Chen CL 13

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    Chen CL 13

    Additional Element:Reaction and Phase Equilibrium Relationships

    - Reaction and Phase Equilibrium Relationships:To describe equilibrium situations reached during a chemical

    reaction or by two or more phases

    - Example: a flash drum temperature of liquid phase= temperature of vapor phase

    pressure of liquid phase

    = pressure of vapor phase

    chemical potential of component i

    in liquid phase =

    chemical potential of component i

    in vapor phase

    Chen CL 14

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    Chen CL 14

    Additional Element:Equations of States

    - Equations of States:

    To describe the relationshipamong intensive variables

    describing the

    thermodynamic state

    of a system

    - Example: a flash drum

    Ideal gas law for vapor phase:

    pVvapor

    = (moles of A + moles of B)RT

    = mass of A + mass of Baverage MW

    RT

    =mass of A + mass of B

    yA

    MA

    + yB

    MB

    RT

    vapor =mass of A + mass of B

    Vvapor

    = [yA

    MA

    + yB

    MB

    ] p

    RT

    liquid

    = (T, xA

    )

    Chen CL 15

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    Chen CL 15

    Dead Time

    -Dead Time:

    Whenever an input variable of a system changes

    there is a time interval (short or long) during which

    no effect is obsrved on outputs of the system

    - dead time, transportation lag, pure delay,

    distance-velocity lag

    Chen CL 16

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    Chen CL 16

    - Example: liquid through a pipe

    A: temperature of inlet changes

    B: temperature of outlet response

    dead time: d

    d =volume of pipe

    volumetric flow rate=

    A L

    A Uav=

    L

    Uav

    Tout(t) = Tin(t d)

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    Chen CL 19

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    Chen CL 19

    - Total Mass Balance:

    d(V)

    dt= iFi F 0

    =c= dVdt

    = Fi F

    - Mass Balance on Component A:

    (r: rate of reaction per unit volume)

    dnA

    dt=

    d(cA

    V)

    dt= c

    AiFi cAF rV

    Vdc

    A

    dt

    + cA

    dV

    dt=FiF= c

    AiFi cAF k0e

    E/RTcA

    V

    dc

    A

    dt=

    FiV

    cAi c

    A

    k0e

    E/RTcA

    Chen CL 20

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    Chen CL 20

    - Total Energy Balance:total energy E = U + K+ P = U H(T, n

    A, n

    B) (enthalpy)

    dE

    dt

    =dU

    dt

    dH

    dt

    = iFihi(Ti) F h(T)Q (1)

    alsodH

    dt=

    H

    TV cp

    dT

    dt+

    H

    nA

    HA(T)

    dnA

    dt+

    H

    nB

    HA(T)

    dnB

    dt

    note

    dnA

    dt =

    d(cA

    V)

    dt = cAiFi cAF rVdn

    B

    dt=

    d(cB

    V)

    dt= c

    BiFi

    =0

    cB

    F + rV

    dH

    dt= V cp

    dT

    dt+ H

    A

    cAi

    Fi cAF rV

    + HB cBF rV (2)

    Chen CL 21

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    (1) = (2) V cpdT

    dt =

    HA cAiFi cAF rV HB cBF rV+Fi ihi(Ti)

    ihi(T) cAi

    HA(T)

    +icpi(TiT)

    F h(T) cAHA(T)+c

    BHB(T)

    Q

    = HA

    cAi

    Fi (i)

    + HA

    cA

    F (ii)

    +HA

    rV

    + HB

    cB

    F (iii)

    HB

    rV + FicAiHA (i)

    +Fiicpi(Ti T) F cAHA (ii)F c

    BH

    B (iii)Q

    =

    HA H

    B

    Hr

    rV + Fiicpi(Ti T)Q

    =i,cp=cpi= VdT

    dt= Fi(Ti T) +

    (Hr)

    cp JrV

    Q

    cp

    Chen CL 22

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    - Summaries:

    state var.s: V, cA

    , T

    state eqn.s:dV

    dt = Fi F

    dcA

    dt=

    FiV

    cAi c

    A

    k0e

    E/RTcA

    dT

    dt =

    Fi

    V (Ti

    T) + Jk0e

    E/RT

    cA Q

    cpV

    output var.s: V, cA

    , T

    input var.s: cAi

    , Fi, Ti, Q , F

    manip. var.s: Q, F

    disturbances: cAi

    , Fi, Ti

    const. par.s: , cp, (Hr), k0, E , R

    Chen CL 23

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    Additional Examples of Mathematical Modeling

    An Ideal Binary Distillation Column

    Chen CL 24

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    - Assumptions:

    constant vapor holdup:

    equal molar heats of vaporization for A and B

    negligible heat loss constant relative volativility

    100% tray efficiency

    V = V1 = = VNyi =

    xi1 + ( 1)xi

    neglect dynamics of condenser and reboiler

    neglect momentum balance for each trayleaving liquid = Li = f(Mi), i = 1, , N

    liquid holdup = Mi

    Chen CL 25

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    - State Equations (1): feed tray (i = f)

    total mass:dMf

    dt= Ff + Lf+1 + Vf1 Lf Vf

    = Ff + Lf+1 Lf

    comp A:d(Mfxf)

    dt= Ffcf + Lf+1xf+1 + Vf1yf1 Lfxf Vfyf

    Chen CL 26

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    - State Equations (2): top tray (i = N)

    total mass:dM

    N

    dt= F

    R+ V

    N1 L

    N V

    N

    = FR LN

    comp A:d(M

    NxN

    )

    dt= F

    RxD

    + VN1

    yN1

    LN

    xN V

    NyN

    Chen CL 27

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    - State Equations (3): bottom tray (i = 1)

    total mass:dM1

    dt= L2 L1 + V V1

    = L2 L1

    comp A:d(M1x1)

    dt= L2x2 + V yB L1x1 V1y1

    Chen CL 28

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    - State Equations (4): ith tray (i = 2, , N 1; i = f)

    total mass:dMi

    dt= Li+1 Li + Vi1 Vi

    = Li+1 Li

    comp A: d(Mixi)

    dt= Li+1xi+1 Lixi + Vi1yi1 Viyi

    Chen CL 29

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    - State Equations (5): reflux drum

    total mass:dM

    RD

    dt= V

    N F

    R F

    D

    comp A: d(MRDxD)dt

    = VN

    yN (F

    R+ F

    D)x

    D

    Chen CL 30

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    - State Equations (6): column base

    total mass:dM

    B

    dt= L1 V FB

    comp A:d(M

    BxB

    )

    dt= L1x1 V yB FBxB

    Chen CL 31

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    - Relationships:

    equilibrium relationships:

    yi =xi

    1 + ( 1)xi i = 1, , f, , N; B

    hydraulic relationships: (Francis weir formula)

    Li = f(Mi) i = 1, , f, , N

    - State Variables:

    liquid holdups:

    M1, M2, , Mf, , MN; MRD, MB

    liquid concentrations:

    x1, x2, , xf, , xN; xD, xB

    Chen CL 32

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    - Summaries:

    2N + 4 nonlinear differential equations (state eqn.s)

    2N + 1 algebraic equations (equilibrium and hydraulic)

    example: N = 20 trays

    2N + 4 = 2(20) + 4 = 44 nonlinear diff. eqn.s

    2N + 1 = 2(20) + 1 = 41 algebraic equations

    Chen CL 33

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    Modeling Considerationsfor Control Purposes

    - State-variables model

    input-output model (convenient for control)

    - Degrees of freedom ( df) inherent in the process extent of control problem to be solved

    Chen CL 34

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    - Input-Output Model:

    output = f(input variables)

    yi = f(m1, , mk; d1, , dt) i = 1, , m

    Chen CL 35

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    - Example: Input-Output Model for CSTR

    Assumptions: Fi = F dV/dt = 0

    Chen CL 36

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    Total Energy Balance:

    VdT

    dt= Fi(Ti T) +

    Q

    cp

    Q = U At(Tst T)

    dT

    dt+

    FiV

    +U AtV cp

    a1/+K

    T =FiV1/

    Ti +U AtV cp K

    Tst

    dT

    dt

    + aT = 1Ti + KTst

    SS: 0 + aTs =1Ti,s + KTst,s

    d(T Ts)

    dt+ a (T Ts)

    T

    = 1 (Ti Ti,s) T

    i,s

    +K(Tst Tst,s) T

    st

    dT

    dt + aT

    =1T

    i + KT

    st

    T

    (t) = c1eat +

    t0

    1

    T

    i + KT

    st

    dt

    initial: T

    (t = 0) = 0 c1 = 0

    T

    (t) = t

    0 1

    T

    i + KT

    st dt

    Chen CL 37

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    Block Diagram: inputs (T

    i(t), T

    st(t)) output (T

    (t))

    This example: output variables = state variables

    Chen CL 38

    Di ill i bl bl !

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    Distillation: output variables = state variables!

    State variables:

    liquid holdups:

    M1, M2, , Mf, , MN; MRD, MB

    liquid concentrations:

    x1, x2, , xf, , xN; xD, xB

    Output variables:

    distillate rate and composition: FD

    , xD

    bottom rate and composition: FB, xB

    Chen CL 39

    DOF D f F d

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    DOF: Degree of Freedom

    -

    Degrees of Freedom (DOF):# of independent variables that must be specified in order to define

    a process completely

    DOF = (# Var.s) (# Indep. Eq.s)

    Chen CL 40

    E l i d k h

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    - Example: stirred tank heater

    mathematical model: # of eq.s = 2

    Adhdt

    = Fi F

    AhdT

    dt= Fi (Ti T) +

    Q

    cp

    # of variables = 6 (h, Ti, T , F , F i, Q) DOF = 6 - 2 = 4

    specify Ti, Fi, F , Q h(t), T(t)

    in order to specify a process completely

    the # ofDoF

    should be zero

    Chen CL 41

    - E l bi di ill i l

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    - Example: binary distillation column

    DOF = (4N + 11) (4N + 5) = 6

    Chen CL 42

    D f F d f A P

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    Degrees of Freedom of A Process

    -

    f = DOF = V E = (# Var.s) (# Indep. Eq.s)

    - Case 1: DOF = 0

    unique values of the V variables

    the process is exactly specified

    - Case 2: DOF > 0

    multiple solutions result from the E equations

    can specify arbitrarily f of the V variables

    the process is underspecified by f equations

    - Case 3: DOF < 0

    no solution to the E equations

    the process is overspecified by f equations

    Chen CL 43

    DOF d P C t ll

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    DOF and Process Controllers

    -

    An under-specified process with DOF = f > 0

    - Q: how to reduce DOF to zero

    to specify system completely with unique behavior ?

    from external world: disturbances

    to add control loops

    - Control loop:

    additional equation between MV and CV

    additional variable: set-point

    same: DOF

    difference: specify MV specify set-point

    Chen CL 44

    - E l ti d t k h t ith t t l l

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    - Example: stirred tank heater with two control loops

    DOF = 4 DOF = 0 if we specify

    Ti, Fi from external world ( disturbances) set-points of the two controllers

    Chen CL 45

    - E l bi di till ti l ( DOF 6)

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    - Example: binary distillation column ( DOF = 6)

    specification of disturbances (external world):

    feed rate (Ff) and feed composition (cf)

    DOF = 6 DOF = 4

    specification of control objectives ( set-points):

    (I) for products:

    xD

    : distillate composition

    xB

    : bottom stream composition

    (II) for operational feasibility:

    MRD: liquid holdup in reflux drum M

    B: liquid holdup at base of column

    four control loops

    DOF = 6 DOF = 4 DOF = 0

    Chen CL 46

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    Note: other alternative control objectives

    (1) keep at desired FD

    , xD

    , MRD

    , MB

    (2) keep at desired FB

    , xB

    , MRD

    , MB