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where:
Vm = Vapor mole flow rate of stage m
Lm = Liquid mole flow rate of stage m
SV = Vapor side stream mole flow rate
SL = Liquid side stream mole flow rate
Vm+1 = Vapor mole flow rate of stage m+1
Lm-1 = Liquid mole flow rate of stage m-1
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light liquid phase. Normally, of course, one of the phases, is completely decanted, but this is not required by
CHEMCAD.
This option requires that you set up a side stream from the column. This must be done in the flowsheet
graphics or Topology. This side stream is for the decanted liquid. Its presence does not create an extra
degree of freedom and, therefore, does not require a side product specification. When using 3-
phase/decanter options 2 (above) or 3 (below) you should NOT define the decant stage or specification.
SCDS assumes that the first side draw defined by graphics or topology will be the condensate decanter.
The portion of each liquid phase which goes to the decanter is specified on page 1 of the SCDS menu in the
decanter split fraction fields (upper layer Alpha, lower layer Beta).
For option 3, partial condenser with decant, a three-phase partial condenser with decant, one vapor, and
two liquid phases form in the condenser. The vapor is the distillate. The two liquid phases are either
decanted or refluxed. The user may specify how much of each liquid phase is decanted and how much is
refluxed using the decanter split fields below.
This option requires that the user set up a side stream from the column. This must be done using flowsheet
graphics or Topology. This side stream is for the decanted liquids. Its presence does not create an extra
degree of freedom and, therefore, does not require that a side product specification be made.
Subcooled delta T
Subcooling may be specified for a total condenser. The number entered is the number of degrees below the
bubble point of the liquid distillate. It is NOT the condenser temperature. For instance, to specify a total
condenser which operates at a temperature 20 F below the bubble point of the liquid distillate, set the
condenser type to 0 and the condenser degrees of subcooling to 20.
Top pressure
The pressure at condenser or top of the column. If not entered, the first feed stream pressure will be used.
Cond press drop
Enter the condenser pressure drop as a positive number.
Colm press drop
Enter the pressure drop through the column and reboiler as a positive number. Pressure on each tray will be
calculated by linearization of pressure between top of the column (excluding condenser) and bottom of the
column (including reboiler if it exists).
Reflux pump press.
Determines the pressure of distillate and reflux.
Bottom pump press.
Determines the pressure of the bottoms stream.
No. of stages
For Regular VLE model, this is the number of stages including condenser and reboiler. Stages are
numbered from the top of the column own. If a condenser is present, it is treated as stage 1. If a reboiler is
present, it is treated as stage N. Theoretically, there is no limit to the number of stages. The actual number
of stages allowed depends on computer memory and number of components in the system. The minimum
number of stages is 2.
For Tray Mass Transfer models, this is the number of theoretical (not ideal) trays to the column. Tray 1 and
N are still the condenser and reboiler, if present.
For Packed Column Mass Transfer models, this is the number of segments used as calculation segments in
the numerical methods of the mass transfer model. In regular VLE, CHEMCAD performs a VLE calculation
around each stage. For the packed column, CHEMCAD performs VLE and mass transfer calculations
around each segment. Using too few segments is analogous to using too large a step size in numerical
integration; the result will be a choppy fit to a smooth curve. Using too many segments will provide the
correct answer, but will take longer to calculate. As a general rule, use 25-100 segments, depending on how
non-ideal the system will behave.
Feed stages
The feed stages are listed in order from top to bottom. Side heaters/coolers are entered as enthalpy streams
(streams have enthalpy and no component flow rate), and the locations must be entered as feed stages. A
feed stream entering a condenser or a reboiler is permitted. If you require multiple feed streams to enter the
same stage, the Mixer UnitOp should be used before the column.
Simulation model
Choose regular VLE model to use the normal SCDS model for a column of N stages. This model assumes
equilibrium mixing on each stage. The mass transfer options use Maxwell-Stefan diffusivities and empirical
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If the specified tray specification is a composition variable, select the appropriate component.
is equal to a specified value of
Give the numerical value of the specified variable in global flowsheet engineering units.
Convergence Tab
Estimates
Initialization
The distillation calculation algorithm enables you to supply initial estimates for the distillation calculation. The
initialization options are as follows:
0 Use simple estimations This option requires the minimum amount of input information (distillate flow
rate, reflux rate, etc.) and starts its own profile estimation by the built-in
profile generation algorithm. In most cases, option 0 has no trouble
converging.
1 Reload column profile Reloads the entire column profile from the previous simulated results and is
most effective for case studies. Make sure you already have a base case
from the previous run before you select option 1. The number of stages and
number of components must remain the same as the base case. This
option is used internally if the column is part of a recycle loop.
3 Temp and Vapor Profile Estimate temperature, and vapor flow rate.
5 Temp, Vapor, Liquid, Estimate temperature, vapor flow, liquid flow, and pressure.
Pressure Note that the pressures provided are fixed values, i.e., they fix the pressure
profile. The T, V, and L values are initial estimates only.
To fix a pressure profile in the column other than the linear profile normally
created by the program, select this option.
6 Auto estimation This is the default option. If you select it, you do not need to enter any
estimates for the column.
If SCDS fails to converge because of extremely non-linear vapor or liquid temperature profiles in the column,
you may want to estimate the initial profile as follows:
For options 2, 3, 4, and 5, complete the Profile Estimation dialog box, which will appear immediately
following the SCDS menu when you click OK.
It is not necessary to give estimates for every stage on the menu. Give only those stages desired and
the program will perform linear interpolation to determine initial estimates for the rest. The top and
bottom stages must be provided.
Dist. rate
Estimated distillate mole flow rate. Recommended input. Do not enter an arbitrary number. If you have no
idea about distillate rate, leave this specification blank. SCDS will use its own estimation.
Reflux rate
Estimated reflux mole flow rate. This is not the specified reflux ratio and should not be input if it is not
approximately known. It is recommended input if known, especially for a very large reflux.
T top
Enter the estimated condenser or top stage temperature. Recommended input. Leave blank if unknown.
T2 (ovhd)
Enter the estimated temperature for stage 2. This is recommended for problems having a large temperature
difference between T top and T2 such as columns with a subcooled condenser. Optional input.
T (n-1)
Enter the estimated temperature for stage N-1. This is recommended for problems having a large
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If you select Use tray column rating, CHEMCAD will use generalized tray sizing methods to estimate
pressure drop through a column. When you click OK, screens for tray column geometry will be displayed.
If you select Use packed column rating, CHEMCAD will use generalized packed column sizing methods to
estimate pressure drop through a column. When you click OK, screens for packed column geometry will
be displayed.
Thermosyphon vapor fraction
If your reboiler is a thermosyphon reboiler, you may specify the outlet vapor fraction of the reboiler. If you do
so, CHEMCAD will calculate the flow rate and heating curve of the reboiler. This calculation does not affect
the distillation calculation, only the reporting of the reboiler information.
Calculated results
Condenser duty
Displayed is the value CHEMCAD calculates for the condenser heat duty, based on user specifications.
Reboiler duty
Displayed is the value CHEMCAD calculates for the reboiler heat duty, based on user specifications.
Reflux mole
This field displays the liquid leaving the ‘theoretical plate’ on stage 1. Note that if you do not have a
condenser this is a non-zero number, as you have liquid leaving the top stage. For a column with
condenser, this is the Reflux mole rate.
Reflux mass
Displayed is the liquid leaving the ‘theoretical plate’ on stage 1. Note that if you do not have a condenser this
is a non-zero number, as you have liquid leaving the top stage. For a column with condenser, this is the
Reflux mass rate.
Reflux ratio
Displayed is the reflux ratio calculated by CHEMCAD, based on user specifications. Note that if you do not
have a condenser this is a non-zero number, as you have liquid leaving the top stage. For a column with
condenser, this is the Reflux mole rate.
Tolerance
Displayed is the calculated tolerance from the previous calculation of this SCDS. This is useful if you intend
to specify your own tolerance for the SCDS, as above.
Reactive Distillation Option
Reactive distillation is simulated using SCDS as a platform or template for the addition of chemical reaction
specifications. The reactions may be defined as kinetic and/or equilibrium and may occur in the liquid and/or
vapor phase, simultaneously. Expressions for equilibrium and rates of reaction are the same as those
described for the equilbrium reactor and kinetic reactor.
To activate the reactive distillation screens, check the Check here for reactive distillation box, found on
the General tab of the SCDS UnitOp specification dialog. The screens for reactive distillation are as follows.
General Data - Reactive Distillation Dialog Box
No. of liquid reactions
A combined total of 20 liquid and/or vapor reactions is permitted.
No. of vapor reactions
A combined total of 20 liquid and/or vapor reactions is permitted.
Units selection for rate equations
Molar flow unit
Molar flow units are needed to properly define concentration terms in the reaction equations. Select a flow
unit from the drop-down list.
Activation energy
Select activation energy from the drop-down list.
Volume unit
Volume units are needed to properly define concentration terms in the reaction equations. Select a volume
unit from the drop-down list.
Time unit
Select a time unit from the drop-down list.
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Note: Most users will not have a need for the absorption terms contained in the second brackets. Leaving
out such data, the rate expression reverts to the traditional stoichiometric reactant-concentration dependent
form with Arrhenius temperature dependence. The entire equation may be generalized as:
where:
ri = Rate of formation for component i, mole/volume-time
i = Subscript for component i
k = Subscript for reactant k
j = Subscript for reaction j
Nij = Stoichiometric coefficient for component I in reaction j
Aj = Frequency factor (Arrhenius parameter) in reaction j
Ej = Activation energy in reaction j
R = Universal gas constant
T = Absolute temperature
Ck = Concentration of reactant k, mole/volume or the partial pressure of reactant k
akj = Exponential factor for reactant k in reaction j
n = Number of reactants
nrx = Number of reaction
ϕkj = Absorption frequency factor for component k (Adsorption factor)
Ekj = Absorption energy factor for component k (Adsorption E) in reaction j
βj = Power factor for absorption sites term for reaction j (Beta factor)
Π = Product symbol
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Σ = Summation symbol
bkj = Adsorption exponential factor for reactant k in reaction j
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