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Basic Process Calculation Methodology

Process Calculations

Content
! Overall aim and strategy of process calculation ! Basics: ! Streams, fluxes and stream variables ! Concentrations ! Degree of freedom analysis ! The mass balance ! Total constraint ! Subsidiary process information

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Overall aim and strategy


! The overall aim is to map all fluxes of substances in the system, or in selected subsystems
org-C NO3P

org-C org-N org-P solids

org-C org-N org-P

org-C NH4+ org-P

org-C NO3P

org-C NO3P

sludge solids O2

sludge sludge

! The overall strategy is to: -! Clarify how many fluxes that the system includes -! Collect as many equations as there are fluxes -! Make sure that the equations are fit for use -! Solve the system of equations with appropriate methods
Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Streams, fluxes and stream variables


! The physical flows take place in streams: ! Streams of liquid (e.g. water or a solvent) ! Streams of gas (e.g. air) ! Streams of solids ! The rate of transport of substances are called flux, expressed as: -! Mass flux (kg/hr, kg etc.) -! Molar flux (moles/hr, moles etc.) -! Volume flux, especially for gases (m3/hr, m3) ! The fluxes are quantified in terms of stream variables: -! W1,A is the mass flux of substance A in stream 1 -! F1,A is the molar flux of substance A in stream 1
Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Concentrations
! Concentrations can be expressed: ! In terms of stream variables ! In ass units or molar units ! Example if we have A and B in a stream 1:

! The mass fraction of A is:

1,A =

W1,A W1,A + W1,B F1,A F1,A + F1,B

! The molar fraction of A is:

x1,A =

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Degree of freedom analysis


! The aims of the degree of freedom analysis are: ! To make sure that the system of equations representing a process has a unique solution ! To organize the equations in a systematic manner

! Degrees of freedom = Number of stream variables ! number of mass balances ! number of subsidiary process information ! number of specified stream variables

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Degree of freedom analysis 3 cases


! Degrees of freedom = 0 ! The problem is correctly specified ! Degrees of freedom > 0 ! The problem is underspecified, more independent equations are needed ! Degrees of freedom < 0 ! The problem is overspecified, some informations are redundant and possibly in conflict with each other

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Mass balance
! The mass balance: ! Refers to a certain system, delimited by its system boundary ! Refers to a certain substance, i.e. an element or a component ! Should include relevant fluxes, expressed as stream variables ! For each component, one (1) unique mass balance can be made for each (sub)system ! Example (non-reaction, steady-state): ! One input stream (index 1) ! Two output streams (indices 2 and 3) ! Two components (indices A and B)
Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Mass balance
! Process chart: ! System with system boundary ! Streams and components ! The general form is: Input = Output ! Mass balances for A and B in mass units: W1,A = W2,A + W3,A W1,B = W2,B + W3,B ! Mass balances for A and B in molar units: F1,A = F2,A + F3,A F1,B = F2,B + F3,B
Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Stream 1 A&B

Stream 2 A&B Stream 3 A&B

Subsidiary process information


! When process calculations are performed, some equations are based on process information ! Examples: ! The ratio between two stream variables ! The fraction of conversion in a chemical reaction ! It is important to make sure that the information used are independent ! Example: Only two of the equations below are independent! WA = 12 WB = 3 W A =4 WB
Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Total constraints
! If a stream i that contains n substances, each denoted j, then the sum of fractional concentrations is by definition unity:
n

! Mass fractions:
j=1 n

i,j = 1 xi,j = 1
j=1

! Molar fractions:

! Note that, if stream 1 includes A and B, the mass/molar fractions are not independent of each other:
1,A + 1,B W1,A W1,B W1,B W1,A + W1,B = + = =1 W1,A + W1,A W1,A + W1,B W1,A + W1,B

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Degree of freedom analysis - implications


! When a process system is represented by a system of linear equations
AX = Y

! The degrees of freedom is 0 if: ! A has an inverse A1 ! det A = 0 ! rank A should equal the dimensions of the (square) matrix A

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

Content
! Overall aim and strategy of process calculation ! Basics: ! Streams, fluxes and stream variables ! Concentrations ! Degree of freedom analysis ! The mass balance ! Total constraint ! Subsidiary process information

Lund University / Faculty of Engineering LTH / Department of Chemical Engineering / Per Warfvinge

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