A COMBINED RELAXATION-NEWTON METHOD AS A

NEW GLOBAL APPROACH TO THE COMPUTATION

OF THERMAL SEPARATION PROCESSES

RONALD G KETCHUM
Department of Chemical Engmeenng, Hoechst Aktien-Geselischaft, Frankfurt am Man, Germany

(Recerced 21 March 1978, accepted 6 July 1978)

Abstract-Two basically dtierent methods, formerly used sequentially to solve mukomponent thermal separation
problems, are now allowed to function sunultaneously wlthm a smgle algorithm to ensure a rapld yet stable
convergence to the solution By combmmg the stabtity of the Rose-Sweeney-Ball method with the raplddy of the
Newton-RaDhson method, the solution IS easdv reached wlthout encountermg the d&i&ties of employmg these
methods separately

INTRODIJCTION total enthalpy balances

l3unng the last 20 yr, a number of methods for solvmg
countercurrent thermal separation processes have been -L-, h,-,+V, H,+L, hi-V,+, H,+,-HF,=O
developed and programmed Each represents some basic (4)
lme of approach m tacklmg this truly most comphcated
and many-sided problem All methods thus far exhibit where I = component subscnpt and 1 = plate subscnpt
defimte strengths and weaknesses, dependmg upon the
parttcular problem bemg treated lIus paper describes an BASIC STRATEGIES THUS FAR EMPLOYED
algonthm which IS deslgned to function as a general The stage-to-stage method of Tluele-Geddes[l] for
approach to dependably reachmg the solution, regardless solvmg the component mater& balances m a column
of the configuration of the column and the type of Hrlth a given number of stages was adapted for
nuxture to be separated computers by Lyster et al [2] The convergence-forcmg
&method[3] IS used to systematlcally adjust the
DEFINITION OF TBE PROBLEM composlhons of the &stflate and the bottoms products
The column to be computed contams N, theoretical to satisfy column specfications For most conventional
eqmliinum stages and any number of feeds and stde columns, the solution IS reached quite rapidly (wlthm 10
streams A specticatlon of constant temperature, hquld tnals) Approxunately 80% of the problems herewth
or vapor flow may be gven to any stage The column can treated converge to the final solution
be conventional or complex, the latter bemg eqmpped Such stage-to-stage methods are prone to a buildup of
with one or more recycled flows (pump-arounds) The computer truncation errors, and will often fd when
mixture to be separated contams N, components, and several feeds and/or side streams are mvolved, or when
the hquld phase can be treated as nomdeal treating Hrlde-bohng or nomdeal mixtures
There are four sets of vanables to be solved for plate A baslcally ddferent approach to the general treatment
temperatures T, total liquid and vapor flows L and V and of separation processes Is relaxatron The solution IS
the ltqmd component concentrations x For a column we reached by slmulatmg the transit through unsteady-state
therefore have a total of iV,, (NC + 3) = IV, vanables operation to the steady state Essentially, the errors m
The correspondmg four sets of equations to be solved the matenal and heat balances around each stage are
are reduced by a stage-\nse correction of the temperatures
and matenal flows Smce the vanables are changmg wth
component matenal balances (iVc equations) time, new imbalances result which agam must be
reduced, etc Relaxation routmes are very stable, u-
-4-l %-I +(v, & + &,) x&i- vj+I &+I XlJ+l
respective of the complexity of the column, compositlon-
- fi zij = 0 (1)
dependence of K-values and uutml values used, and are
for these reasons attractEve for handhng problems msol-
total matenal balances
vable by other methods Notable examples of relaxanon
algonthms are gven by Rose and Sweeny[4] and
-Lj_1+v,+L,-v,,,-F,=o (2) Hanson[5] Convergence tends to become very slow
when nearmg the solution, which phenomenon often
concentration sums
renders them lmpractlcal for common use -
Successrve substrtutron procedures dlvlde the problem
c x, - 1 = 0 mto subsets of equations for solving the correspondmg

387
388 RG KETCHUM

profiles, e g x, T, L and V, wlthm a routme of consecu-
tlve lteratlon loops The method of Wang and Henke[6]
uses a tune and space-savmg tndlagonal matrut and the
Thomas method[7] for each component to solve x for given
values of T, L and V wlthout encountermg truncation
errors The bubble pomt method (BP) may be used to
obtam new T by bubble pomt calculations and new V
and L by enthalpy balances, or the sum rates method
(SR) to obtam new T by enthalpy balances and V and L
by summmg the llquld and vapor component rates Fn-
day and Snuth[I] and Kmg[9] state that a choice must
often be made between BP and SR, dependmg upon
whether close or wide bolllng mixtures are to be treated
BP tends to become unstable for wide bo&ng mixtures
because of the sensltlvlty of the bubble points to even
small changes m compowtlons, and 1s therefore depcnd-
ably apphcable only for close bodmg mixtures SR, on
the other hand, will usually converge for wide bolng
relaxation method Reference to the feasablllty of such a
strategy 1s also given by IGng[9]
Although this strategy WIU guarantee reachmg the
solution, dlaculhes can arlse w&h It when the relaxation
method requires much tune m generatmg lmtlal values
near enough to the solution for Newton-Raphson to take
over Moreover, the necessity of judgmg when to switch
from the ftrst stage to the second often renders the
strategy cumbersome, entimg mtermrttent adlustments
by the user
Syntheslzmg the two methods mto a smgle algonthm
elmunates the dticultles encountered by their separate
use while at the same time retammg theu strengths The
resultant module can be easily and fully automatlcally
employed, and a smooth yet rapld convergence without
reqmrmg excessive computer time 1s provided
THE ROSl3-SWRENEY-BALL RELAXATION METROD

mixtures The same authors also state, quite correctly, The fundamental concept of this method[4] and its
that the area of convergence of a BP and SR method can further development by Ball[14] offers the basis for a
be extended by dampmg changes m T, L and V highly stable relaxation procedure which wdl descnbe
However, experience shows that no amount of dampmg the transient behavior of a cohunn approachmg steady-
will always ensure convergence with this or other suc- state operation It has been hscussed, m addltlon to the
cesslve substltutlon schemes authors, by Hlavacek et al [15] and by HolIand[l6] and
Successive substltutlon methods offer a general solu- need not be explamed 111 all detsuls here Bnefly, It
tlon while not requu-mg unreasonable computer tune estunates the component concentration changes m the
However, they often fti because of the separate cor- hquld holdups on at1 plates with tie
rectlon of smgle or grouped variables, which does not Durmg unsteady-state operation, the sums of the
take mto account the effect of these changes on the other component matenal flows entermg and leavmg a plate
profiles not bemg corrected at the moment are not equal The Increase or decrease du, of a
A more modem method of attack apphes the multi- component I on plate J durmg time dt 1s given by
uanate Newton, or Newton-Raphson, scheme for slmul-
taneously correctmg all variables to close the errors m du,, = dt[L1 G-I + v,+, K,+, x,,+I
eqns (l)--(4) by a quasi-lmeanzatlon of the equations -(v, K,,+L) .&f+F, &I (5)
system for the column Stamthorp et al [lo], among the
first to apply Newton-Raphson to dlstlllatlon problems, Assummg that this gam or loss IS added to or removed
mdlcate the need of dampmg profile changes to stabilize from the hquld holdup U,, the correspondmg concen-
convergence More recently, Hlavacek [ 1 l] and tratlon change therem 1s
Holland[12] have presented pubhcatlons on the ap-
plicatlon of Newton-Raphson to separation problems If
&&, =I du
properly damped, convergence can be very raptd, and v,
the solution 1s reached wthm 5-10 trials However,
expenence shows that convergence cannot always be Durmg the foliowmg conslderatlons, the holdup of the
guaranteed, even with dampmg, If the mittal values are llquld phase IS taken to be constant, and the holdup of
too far removed from the final solutlonC131 the gas phase, which 1s usually negbgble, IS onutted
The aforesad not only pmpomts some of the more Combmmg (5) and (6) yields the dtierentlal equation
well-known developments m the attempt to model for the rate of change of x,,
separation processes, but also serves to illustrate the fact
that no one method up to now has been able to offer a
umversal and rehable strategy Theu use often entads
~+I+, ~-1 + V,+, K,,+, x,,+l

choosmg the one best sulted for the case at hand, which
m turn can lead to much tnal and error before the
solution 1s reached
A more global approach consists of a two-stage stra-
tegy which capltahzes on the strengths and elunmates the
weaknesses of fundamentally ddferent methods In a
scheme suggested m another paper[ 131 the stability of a
relaxation method IS uthzed to reach the vlcmlty of the
solution, whereafter the Newton-Raphson method
raprdly completes the computation while functlonmg
stablhty with the good startmg values provided by the
The value of x after tune mterval At IS obtamed by use
of Eulers method and computmg dx,Jdt at time t by eqn
(7)
x:,+=x:,+At 2
I*
Startmg from some assumed set of profile values for x,
T, L and V, x:,+~ for each component IS calculated with
eqn (8) New temperatures T and new flow rates V and
 Computation of thermal separanon processes 389

L may be computed by the BP or SR method Here flows, the heat flows entering and leavmg a plate dunng
agam, as mdlcated above, a choice must be made be- unsteady-state operation are not equal The increase or
tween BP and SR, dependmg upon whether a close or decrease rate dH, of the enthalpy on plate J 1s gven by
wide bollmg nuxture, respectively, 1s being treated This the dtierential equation
process IS repeated until the changes m the profiles do
not exceed some convergence cntena
Ball[ 141 pointed out that the Rose method usually
%=(&_I fl-,+ v ,+I H,+,-v, HJ-r, h,+HF,)
converges too slowly for practical use His improvement (12)
mvolved usmg the value of dx,,/dt at time t + At
Accordingly, eqn (8) becomes Assummg that dH, accumulates m the holdup and effects
a temperature change therem, then

(9)
(13)
By msertmg eqn (7) mto eqn (9) (lmphclt method), the
Ball equation 1s obtamed The expression for the rate of change of T with tune 1s

-L, h,+HF,) (14)

Where CPU = dhuldT = speak heat of the holdup

By takmg the value of dT/dt at time t + At, q at time
t + At 1s given by

D =& v KA
dT,
v u* 1+1 ,,+ 1 TA
, = T
I
+ At

dt I
t+.st

If the approxlmatlons
Insertmg eqn (14) mto eqn (15) (lmphclt method) we
KP _- Ki obtam

L 1+*1_
- L1 (11)

V ,+A, -Tr
_

are made, the vector XI+* for each component can be

ready calculated by setting up eqn (10) to form a
mdlagonal matrrx New values for T, L and V are
obtamed as explamed above Bv =A V;=f H;=t
This iteration procedure wrll usually reach the solution u, CPU
without dficulty wthm 50-100 iterations It functions
well with starting values remote from the solution and Equation (14) 1s stnctly vahd for constant material flows
remams stable regardless of the complexity of the durmg the time interval bemg considered Actually, dH,
column and type of nuxture Its effectweness 1s never- will cause some change m V, and I_,,, however, the
theless lmuted by three mherent weaknesses resultmg devlatlons should remam small when applying
1 The separate correction of the profiles x, T, L and (14) for small At
V, which can lead either to unstable temperature The equation for the rate of change of the total
behavior or sluash progress, material flows on plate J 1s given by
2 The omlsslon of the estunation of the change of
temperature with time,
L,-t + VJ+, -L,-q+fi=% (17)
3 The tendency, as with all relaxation methods, to
become slow when nearmg the solution
These dticulties can be overcome by calcuiatmg the Smce U has been taken to be Independent of time, eqn
profile changes simultaneously and interdependently, (17) reduces to the total materml balance
thereby better slmulatmg transient behavior while at the
same time stablllzmg and facllltatmg convergence IL-1 + v,+,- L, - V, + F, = 0 m-9

EXTENSION OF THE BALL METHOD Equations (lo), (16) and (18) can now be apphed to
In order to do tlus, the Ball method must lirst be calculate the values of x, T, L and V after tune t + At
extended to include the dtierentral equation representing The Newton-Raphson scheme IS employed, as will now
the change of temperatures wth time As with matenal be shown
 390 R G KETCHUM
APPLICATION OF THE NEWTON-RAPHSON METHOD 0, AV, = 0 or ATj = 0 Equation (20a) IS easily solved for
This algorithm has been used wth considerable suc- AP by a Gaussmn elmunatlon of the codlagonal JL and
cess since being adapted for dlstdlatlon problems by of the lower half of J to form an upper tnangular matnx
Stamthorp{lO] Other authors have further demonstrated The profiles are corrected with AP, the system re-evalu-
Its effectiveness for separation problems m general and ated for 4 and the process repeated until 4 does not
for hand@ systems mvolving mterlmked exceed some convergence cntena
columns[ll, 173 It estimates, by a quasdmenzatton of Savmgs m computation tune can be achieved by
the equations system for the column, the profile changes refinmg ehnunation routmes to take advantage of the fact
necessary to close the errors m the component matenal, that many of the elements of the JL-submatnces are
total matenal and heat balances and m the concentration zero A further reduction m time and space reqmrements
sums for each plate The equations to be solved for a can of course be gamed by drawmg the total matenal
plate J are balances around each plate and the bottom plate to
eliminate the vanable V m eqn (19) However, this wdl
-L,-A-,+wi K,,+Jb) xx,-v,+, K,j+, x,+1 become somewhat comphcated when pump-arounds are
mcluded Furthermore, treatmg nomdeal mixtures wdl
- FI z,, = g,
almost completely fill the JL-matrices with elements
2 xi, - 1 = s, resultmg from the partial dlfferentlatlon of the actlvlty
coefficients with respect to x and thus greatly offset the
-L,-,+v,+L,-v,+,-F,=M, savmg effected by ehmmatmg V
As mentioned above, this algorithm wfl generally
-L,-I h,-r+V, H,+L, hi-V,+, H,+,-He==,
converge quite rapidly (approx 5-10 iterations), depend-
(19) mg upon the proxlmlty of the mitral profile values to the
final solution Whde dampmg wdl stablllze convergence
The newton-Raphson equation for the column IS m many cases, It IS nevertheless a well-known fact that
obtamed by partml ddferentlatlon of (19) with respect to this method wdl not converge when startmg ullth values
all vanables for all plates too far removed from the solution, even when damped

SYNTHESIS OF THE RELAXATION AND

J-I,&, i=l,n,
c* AP,, =-4,, NEWTON-RAPHSON METHODS
8P, m = l,n,, n = l,n,
(20) The two methods described can be combined mto one
algorithm by replacmg the component-matenal and
where P = profile vector (x, T, L, V) and 4 = error enthalpy balances m eqn (19) with eqn (10) and eqn (16)
vector (g, S, M, E) We now have
The partml derlvatlves m the L H S of eqn (20) can be
grouped together platewlse to form the N,-&menslonal -8 L:l, x:,_,+e (Vi Kt+L;) xh+x:,
Jacobian submatnces J, for the plates and JL, and JV, -0 V;:, K:;+, x!;+,-x!,-e fi z,,=g,,
for the mterconnectmg hquld and vapor flows J, JL and
CxQ-1=s,
JV are assembled to form a tndlagonal matnx contammg
the mam diagonal J and the lower and upper codlagonals (21)
-L:l,+v,+~-v::*-F,=M,
JL and JV
-& L;i, h:*+L cbu (v, I$tl+L,r h;)+ T;

-- e 0
CPU v::1 H::, - T,-cpuHF,==

@CM) where 6 = At/U, and t, = time after At = t + At

The Newton-Raphson method 1s now employed to
solve eqn (21) for the profile changes AP dunng time
Interval At by appiymg It m exactly the same manner as
for eqn (19) Here the function values g,, S,, M, and E,
are obtamed by evaluatmg the L H S of the respective
equations m (21) at tune t
The length of the time interval At IS determined by the
Jc AP=-4 value given to the relaxation factor B The shorter the
tune Intervals are chosen, the smaller the changes m the
in this manner, only the non-zero submatnces of the profiles and the more accurate the slmulatlon of the
mam Jacobmn Jc are stored, and excessive-and for unsteady state become The larger the value of At, the
large columns prohlbltlve--core space requu-ements and more the algonthm assumes the behavior of Newton-
computation time are avoided Raphson and, conversely, the less accurately It describes
Column specdicatlons such as reflux and rebotler rates the unsteady state For a tune mterval, whether short or
or fixed plate temperatures must replace the enthalpy long, only one Newton-Raphson iteration 1s performed
balances of the plates bemg specdied m the form AL,, = The synthesis thus performed effects, firstly, an lm-
 Computation of thermal separation processes 391

proved slmulatlon of transient cdumn behavior by m- By transferrmg the addlhonal submatnx to a vector cm
cludmg the change of temperature with tune and by m the R H S of (22) the tradlagonal matrrx Jc and the
sunultaneously and mterdependently estunatmg the followmg equation result
change of all profiles with tune The change of each
vmable mfluences and IS lnffuenced by the changes of all Jc AP=d-APm cm (23)
other vmables Secondly, the combmatlon of the two
methods provides a very effective dampmg for Newton- As for the solution of eqn (2Oa), the co-dxagonal JL and
Raphson and prevents It from becommg unstable, partl- the lower half of the diagonal J are elunmated to gwe the
cularly when operating far from the solution followmg moddied equation

CONVERGENCE Jc AP=+-APm cm (24)

The resultmg smgle algorrthm can function prunarlly
as a relaxation method (small values for IY)or prunarlly Multlplymg eqn (24) by the inverse Jc- gives
as the Newton-Raphson method (large values for 0), as a
compmson of eqn (19) and eqn (21) wdl reveal When AP=Jc- 4-APm Jc- cm (25)
starting the computation, 0 should be gven a small
value, e g 0 1, to ensure a stable approach to the solu- The mth sub-equation of (25) contams the redundancy
tion Durmg the course of convergence, 0 can be m- APm = f(APm) Regroupmg the terms of this equation
creased whenever the profiles change too slowly, unti. m yields a hnear equations system solvable for the N,
the vlcmlty of the solution, it can be gven a very large vmables of APm Substltutlon of APm mto all other
value, e g 10,000, wthout mcurrmg mstablty A JU~I- subequations of (25) gves the complete vector AP If the
clous adjustment of 0 from Iteration to Iteration, gmded column contams several recycles, e g from plates m and
by the profile changes of the previous iteration, WIU n, the vectors cm and cn and a correspondmgly enlarged
ensure smooth convergence, avoldmg needles iterations linear equations system for APm and APn result [ 181
resultmg from too small 6 or unstable behavior caused The tune- and space-consummg inverse Jc-, used
by too large 0 here to conform to the rules of matnx language, need not
The fusion of the two methods renders the Newton- be calculated in practice Smce Jc is an upper tnangular
Raphson method stable, whether m the proxumty of the matnx, the vectors [Jc- 41, [Jc- cm], etc can be
solution or not, by hnutmg the rate of change of the obtamed directly from the relatlonshrps
profiles For tlus reason, and as expenence confirms, the
profile changes need not be as heavily damped as with Jc [Jc- 4]= 4, Jc [Jc- cm] = cm, etc
Newton-Raphson alone The hqmd and vapor rates can
be allowed to vary up to 50% of their previous values, The same logic apphes to the solution of systems of
the temperatures by up to 20 and the liquid concen- mterhnked columns The system IS lmeanzed by assem-
trations by up to 0 1 bling Its constituent columns to form one smgle column
This algonthm wfl converge even when startmg from representmg the entve system (Fig 1) The recycles and
poor uutml values (provided they are not extremely far mterhnkmg flows assume the form of vapor or hquld
removed from the solution) However, the better the pump-arounds m a single column and are treated as
uut~al profiles-particularly the temperatures-the more shown m eqns (22H25) The sunultaneous solution of
rapidly the solution wdl be reached In most cases, approx the columns and of their mterhnkmg flows ehmmates the
10-20 lteratlons wdl be requued convergence dticulttles encountered by use of a sequen-
teal method
USE FOR COLUMNS WITH PUMP-AROUND6 AND The inclusion of pump-arounds, recycles, etc mto the
FORSY!+XEMSOF -ED COLUMNS above-descriied computatton scheme does not alter the
The algonthm described can be employed for complex behavior of the algonthm or Impede convergence Fach
columns and column systems wth recycles w&out ex- addltlonal vector m eqn (23) increases the computation
cesslvely mcreasmg the computation tie requued for time by approx 20% of that reqmred to solve the same
treatmg the same columns mdlvldually columns separately
For a column wth a hquld pump-around from plate m

a
to a higher piate q, the matnx Jc m eqn @a) contams an
addltlonal submati representmg the pump-around,
which lies outside of the &agonals J, JL and Jv

I
9 (22)
ExWacthm dlstiliaiton

Frg 1
Linearmedfarm
392 RGK~u-IuM

COMPIJTAIION EXAMPLES m absorbers Al and A2 usmg recirculated CH,Cl as the

Two typlcal mdustrml separation problems were solvent The bottoms of Al are freed of CH#& in
solved to demonstrate the effectiveness of the above dlstiatlon Dl while m 02 the HCl-saturated solvent
algonthm CHsCl 1s regenerated and recycled to A2 The actlvlty
Example 1 IS a reboiled absorber shown m Fig 2 Two coefficients for the nomdeal bmary HCl-CH,CI were
key components are to be removed from a su(- computed with the NRTI_ equation The solution was
component gaseous feed F Lean solvent 1s fed to the reached after 15 lteratlons, startmg with 9 = 0 1 and
absorber A and desorber D (Sl and S2) The saturated rasmg It to a final value of 10,000
solvent leavmg the absorber IS pumped to the rmddle of The solutions for these examples, together ~th the
the desorber, freed of an addltlonally absorbed undesired vapor pressure, enthalpy and NRTL coefficients and the
third component and removed as bottoms product mltlal profiles are grven m the Appendix
Eleven lteratlons were requued to reach the solution, the A program for the executjon of thrs algorithm,, wntten
mltlally used value of 0 = 0 1 was gradually mcreased to m FORTRAN IV with an OVERLAY structure and with
1000 a capacity of 20 components and 200 plates, Hrlll requue
Example 2 simulates the separafion of a nuxture of about 5OOK bytes Example 1 requires 105 set, and
HCl, CHXI, CHzC12 and CH, usmg the mterlmked ab- example 2 135 set on an IBM 158 computer Compu-
sorption and &stlllatlon towers A 1, A2, D 1 and 02 (Fig tatton time mcreases lmearly wth the number of plates,
3) The CH,Cl, and HCl m the gaseous feed are removed and roughly to the square wrth the number of
components

CONCLUSION

The synthesis of an unsteady state state method with a

steady state method greatly factitates the computation
of separation problems by ehmmatmg the dlfliculties
encountered by theu separate use The automatic ad-
justment of the relaxation factor 8 within the program
regulates the rate of convergence, thereby elunmatmg
the need of user mterventlon and provldmg a routme
treatment of the problem The convertlblllty of the one
method to the other wlthm the algonthm guarantees at all
times a stable and rapld approach to the solution and
renders the strategy msensltive to the quahty of the
___- uutlal values Expenence obtamed from the solution of
Rg 2 several hundred cases of vaned nature mdtcate that this
algonthm IS globally apphcable to all types and
configurations of columns and groups of columns and to
any type of mixture
f%ZO atm
IO pbtcs NOTATION
hquld flow from plate J
vapor flow from plate J
temperature on plate 1
heat flow to or from plate J
P- IO atm total feed to plate J
IO ptares hquld holdup on plate J
mole fraction of component I m the hquld
mole fraction of component I m the vapor
eqmhbnum coefficient of component I = yJx,
mole fraction of component I III feed F
molal enthalpy of hquld phase
15 plans molal enthalpy of vapor phase
total enthalpy of feed F
tune

Greek symbol
P- 15 atm 8 relaxation factor = At/U
12 plates

[l] Te E W and Geddes R L , Ind Engng Chem 1933 2

Rg 3
 Computation of thermal separation processes 393

[2] Lyster W N , Sulhvan S L, Bdhngsly D S and Holland C [ 1l] Hlavacek V , Kublcek M and Prochaske F , Chem Engng
D , Petrol Ref 1959 38(6) 221 Scr 1976 31(4) 277
[3] Holland C D , Mubxmponent fktdlahon Prentice Hall, [12] Holland C D , Hydrocar Proc Jan 1976, p 137
Englewood CUTS, New Jersey 1963 [13] Ketchum R G , Chemre-Ingenreur-Tech& 1971 430)
[4] Rose A, Sweeny R and Schrodt V , Ind Engng Chem 1958
so 737 [14] iz W Paper 44th National Meetmg of the A I Ch E New
151 Hanson D N , Dufin J H and Somervdle G G , Compu- Orleak, Feb l%l
tahon of M&stage Separation Processes Remhold. New [15] Jehnek J , Hlavacek V and Kublcek M , Chem Engng Scl
York I%2 1973 25 1825
[6] Wang J C and Henke G H , Petrol Ref 1966 45(8) 155 [16J Holland C D , Unsteady State Processes wrth Appkatrons
[7j Lapldus L, hgttal Computatwn for ChemrcaI Engmeers m Multzcomponent Dstdlatron Prentice-Hall, New Jersey
McGraw-Hdl, New York 1%2
[8] Friday J R and Smith B D , A I Ch E.J 1964 10 698 [17] kzhum R G Pap Symp Comp LJes Erection Chem
[9] Kmg C I, Separatwn Processes, p 539 McGraw-H& New Plants Karlsbai, Czech Sept 1975
York 1971 [ 181 Lanczos C , Apphed Mathematics, Mathematics Series,
[IO] Stamthorp F P and WhItehouse P A, Trans Instn Chem Prentice-Hall, Englewood Chffs, New Jersey
Engrs , Symp Ser 1%7 13 181

CDUlp tea ProI-, r1es

T-T V-mok T-T VdlOk L-UIOk

1 -2s 00 1615.53 -29.76 767 09 953 97
2 _2L.b7 7613.53 -28.57 821.07 Y69 L
3 -2 7 ,615 3.3 -20.22 835.53 972 67
4 -2 62 1615.53 -2A 1, (139 76 97s 93
5 -24 1 1615.33 4k.07 (IL1.62 97 35
6 -24 36 7-15 53 -2R 06 Y7L.5;
7 -24.23 1615.53 -28 05 97L 63
8 -2 10 ,615 53 -28.05 a*1 I74 974 73
9 -23 Y7 1615 53 -28 02 8&l 8 97 5
10 -23 15 1615.53 -29 0, 8L1 94 17L.
11 -23.72 1615.53 -26.00 bb2.03 Y75 L
-23.39 1615.53 -27 99 8L2.13 *73,1l.
:: -23r.b ,615 53 -27 07 0l.2 2 975.25
-23 33 16,s 53 -27 95 842 3 975.3?
:: -23 21 1615.53 -27.93 a&2 6 975 LO
-23.06 1615.53 -27.ro 862.59 Y75.6L
:; -22.93 1615.53 -27.0 842.73 075.PO
18 -22 62 1615.53 -27.b3 8L2 119 Y73 9P
-22 6" 1675.33 -27 7b L143 OR 916 21
18 -22.50
-22 Lb
16,s
,615
53
53
-27.7'1
-27.65
843.30
IC3.57
976
Y76.dl
Ld

22 -22 31 1615 53 -27 51 rlc3 90 977.23

-22 18 -27.3e I3CL 32 077 7t
:: -22.05 :::: . :: -27 17 BLL a5 r7* 3
-21 92 1Q15.53 -2e 93 865.52 979 2r
:: -2, 79 ,635 53 -26 e.2 81 38 980 57
27 -21 e7 1615.53 -26 24 867.d.6 9bl 73
28 -21 3L 1613.53 -25.79 868 82 983 3
29 -tl.l lblS.53 -25.37 RIO 52 "65 5c
30 -25.00 -2s.00 b52.67 *a&l 70
33 -21.15 :z::*:: -26 23 855.80 991 72
32 -21 03 ,615 53 -23 5 BSct 111 99L.96
33 -20 YO 1675.53 -22.71 862.05 90n 66
3 -20.77 lb15 53 -22 66 BQ5.75 1003 83
35 -25 00 ,615 53 -25 00 670.92 1037 91
36 -20 51 1615.53 -23.77 885 00 ,023 26
37 -25 00 lL15.55 -25 00 895.37 ,*I.* 30
38 -25.00 -25.00 915.39 1077.23
39 -25.00 :8::*:: -2s 00 944.32 llJ7 15
CO -11) 00 ,615 53 -,a.00 1004 2 1223 Ll
LI -10 00 592 59 -2,.&P 72.56 287 53
2 -2c.00 592 sv -24.00 710 10 297 51
3 -7 89 592 59 -2l.DO 120.07 3", 01
LC -20 00 592 59 -26.00 j23.57 iro i6
4.5 -5 79 59d 59 -22 07 133 02 313 I.7
46 -2c.00 592 59 -2 00 336 03 324.3C
67 -2100 592 59 -sc.ou 1&e 9.5 33s.03
Ld -2 63 592 59 -17 30 761 *9 ,583 LN
I.* -1.5b 592.59 -15 54 177 IS f59O 65
SO -0 53 592 59 -13.78 '190 80 '1605.PB
51 0 33 592 59 -11.5 200.13 ,617 52
52 1.56 592.59 -9 'I, 2(1.6? 1630 36
53 2.63 592.5Y -0.89 226.31 te*, 71
5 3.68 592 59 -5 I.5 235.8? 1650.73
55 5 7c 592 59 2CG.BB 1657 02
56 5 79 592 59 I: :z 251 ,7 16&l 1..
$7 O*BL 592.59 -2 63 255.34 lb64 05
58 7.89 392 59 -1 92 258 2, 1666.37
59 s 93. 592.59 0 57 260.52 ,663 5
60 10.00 592.59 23.d.b 237 LO 1605 4s
394 R G KETCHUM

COLlipllSlt * B c
Cl -27 4871 -372 29 5 71804
c2 8 4118 -91; 0
c3 24 0826 58 2 58507
c4 20 3500 -1724 29 -1 74751
:z -;z ::4: ,745 1,
16 14 44336
-6
-5876 63790

Constants for Polynomals h - D,, + EL t

H-Dy+% t

component =L EL DV Ev
01 2352 0 88 z::: : 8 e
:: 5340 0 85 6340 0 85

c4 ::c : 98 z:z : 98
c5 10 4 10 4
~6 3160 0 29 0 10410 0 29 0

136.3000 0.0000 0.0000 0.000, ,3* 3000

0 003
527.2P00
125.5R60 0 0000 00.0000
0000 ::: . ::;s 0.0001
113 6530 0.0000 0.0000 ,,3.ZPR 0 2252
120.1230 0 0000 0.0000 0 0000 920 ,230
0.0000 900.0000 230.OOOO 0 7976 1149 202,

T-T V-lOOk L-mak T-T V-llIOk L-mok

20 00 885.00 200 00 14 Ib ?IO.PO 29L.30
: 20.64 8.53.00 200 00 22.43 875.70 297.R7
3 20 LIP 885.00 200.00 23.12 b7a.77 297.51
L 21.3s 8.53 00 200 00 23.23 a78 L7 297.&C
5 2, .?a 0.33 00 200 0 23 2b 878.34 29?..1
6 22.22 885.00 200 00 23 27 878 3, 2Y7.39
7 22.b7 a05 00 200.00 25.27 871 29 297.31
a 23.11 885 .oo 200 00 23.29 878 21 296 33
23.56 aa5.00 23.53 877.24 2.35 9
1x 24 00 885 00 :E :: 26,lb c166*3Q 3oc 10

10.00 ?Ob 00 177 00 0 CL) TOa. 4016 72

10 00 885.00 b177 00 2.16 72L 72 ~032.14
10 00 BBS.00 L177.00 3.63 7LO.,P .0S ST
10 00 885 00 4(17.00 4.&L 753.87 L057.24
70 00 a85 00 4117.00 5 77 ?b3.2b LOlb.25
70 on BUS.00 1177.00 6.46 776.25 L073.25
,o.oo 885 00 L177.00 0 (16 781.23 07X 94
10 00 885 00 b1?7rOO 6.95 786 0. LOd.57
(0.00 8.35 00 L177 00 6.8 7Y2.57 COP2 9,
10 00 8115 00 6777 00 4 60 800 PI 1172 90

13.00 163.00 kO0 00 Y 8, 26, 10 LOO.OO

2 16.43 563.00 400 00 11.46 667.10 397.5s.
,7 86 SC3 00 600.00 ,3.,0 b6.6& aa, .5c
:: 19.29 363.00 600 00 ,4 20 664.56 Lbl 7I
25 20 71 563.00 600.00 11 6 64 79 61, BJ
21 22.34 563.00 600.00 ,A.43 bLL.83 6.3, .5&
27 23.57 563 00 600.00 1L.4 bL.PL 651 5
28 25.00 563.00 600.00 ,&.L 64 R 68, i(
29 26 3 563 00 600 00 1c LL 06 BL 68, 76
30 27 BI 563.00 LOO 00 ,.LR 64.7S 68, 2
29 2Y 563.00 boo 00 14 7 6CC.2 076 25
:: 30 7, 363.00 boo 00 ,7.6 63Y 25 6L2 5s
33 32 34 563.00 c.00.00 33 86 605.5.Y Is*.36
33.57 363.00 600.00 66.59 52, .3.5 530.29
:: 35.00 563.00 31.00 8b.15 693 29 37.00

Jb 0,oo ,LO*OO 2000 oa -2o.oc IL0 00 2000 00

37 5 5 21LO.00 2000 00 -19.8V Zld.0 00 1932 25
38 10.9, 21LO.00 2000 00 -5.5, 2072 25 1746 3.9
30 ,6 36 z*Lo,oo aooa 00 2b.P7 ,816.,8 ,575 d.9
LO 21.82 21LO.00 2000.00 50 L, ,,,I LP 1566.55
I, 27.27 1977.00 5977 00 59.35 l1,Y r5 bO2z. 9,
*2 32.?3 1977.00 5977.00 ho.*5 2024.97 602R.39
L3 33.18 1P77.00 5977.00 62.83 2020.39 bO32.02
cc d.3 6 1972.00 5977.00 (14.10 2032.02 a035.1,
65 0 09 lP??.OO 5977.00 6 93 2035.q.J 603?.3B
Cb SC 53 1977.00 3977.00 65.L5 2037.3a CO30.00
L7 60.00 ,977 00 4000.00 65.77 2038 00 L000.00
 395

c
-3 50723
-7 62250

-'Z 94'3'

hthslpres

cmnatante IDI- Pclynomlals h - t + FL 2

B- 2% t + Fv 3
component W Ev FV
EC1 4200 0 3 264 -0 9340
cE3c1 5870 0 6 464 -0 0134
=2%2
?"gX", : 1'1 000
1, 020 -00 0200
25lOO
c=4

Feed end Product Qvantitles -mde

c*JcL CWZCL2 CWL

18(1.6000 36.0000 520.0000

917 77s5 tr3.1541 0 0011 519.VT09

29.1735 25.3 11550 36.0226 0 OL52

* .36L? 186.9927 0.0017 519.6*0*

I21.1LLB 3950.9b29 O.CBSl7 0 3302

29.1735 237 853 0.02L3 0 QLSZ

0.0000 1.0017 35.9983 0 0000

(39.6353 0.0056 O.0000 0.3592

L.73L2 3994.7793 O.Laa2 0.0000

tesvd34No3-El