Process Simulation for Mixtures of Hydrocarbons, Petroleum, and

19 Process Simulation for Mixtures of Hydrocarbons, Petroleum, and Associated Gases in Coexisting Vapor and Liquid Systems 1

WAYNE C. EDMISTER , STERLING H. BOOTH, and ROBERT E. HURNEY

Downloaded by UNIV LAVAL on April 30, 2016 | http://pubs.acs.org Publication Date: May 30, 1980 | doi: 10.1021/bk-1980-0124.ch019

Kaiser Engineers, Inc., Oakland, CA 94623

A computer algorithm has been developed f o r making m u l t i component mixture c a l c u l a t i o n s to p r e d i c t : (a) thermodynamic p r o p e r t i e s o f liquid and vapor phases; (b) bubble p o i n t , dew p o i n t , and f l a s h c o n d i t i o n s ; (c) m u l t i p l e f l a s h e s , condensat i o n s , compression, and expansion o p e r a t i o n s ; and (d) separat i o n s by distillation and a b s o r p t i o n . Equations and property data are included f o r 39 hydrocarbons, 10 nonhydrocarbons, and petroleum f r a c t i o n s . Petroleum p r o p e r t i e s are p r e d i c t e d by equations derived from c o r r e l a t i o n s that are in the T e c h n i c a l Data Book o f the American Petroleum Institute (1). Six a l t e r n a t e methods f o r p r e d i c t i n g the thermodynamic p r o p e r t i e s are included. These are known by the names of the authors o f the methods, which are Chao-Seader ( 2 ) , GraysonStreed ( 3 ) , Lee-Erbar-Edmister ( 4 ) , Soave-Redlich-Kwong ( 5 ) , Peng-Robinson (6) and Lee-Kesler-Ploecker (7, 12). SIMULATION PROGRAMS Computer s i m u l a t i o n programs are u s e f u l engineering t o o l s f o r design, o p t i m i z a t i o n , and c o n t r o l o f p r o d u c t i o n and manufact u r i n g processes. A simulator f o r e q u i l i b r i u m p r o c e s s i n g o f hydrocarbons, petroleum, and a s s o c i a t e d gases in c o - e x i s t i n g vapor and liquid phases will be described in this paper. To be u s e f u l , this type of s i m u l a t o r must c a l c u l a t e the thermodynamic p r o p e r t i e s o f multicomponent mixtures in both liquid and vapor phases while p r e d i c t i n g bubble and dew p o i n t s or p a r t i a l v a p o r i z a t i o n s or condensations. Using this b a s i c information, the simulator must then make c a l c u l a t i o n s f o r other processes, such as gas c o o l i n g by expansion, gas compression, multiple flashes condensations, and separations by a b s o r p t i o n *Current Address:

75 Summit, San R a f a e l , CA 94901

0-8412-0549-3/80/47-124-343$05.00/0 © 1980 American Chemical Society Squires and Reklaitis; Computer Applications to Chemical Engineering ACS Symposium Series; American Chemical Society: Washington, DC, 1980.

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or distillation. Our simulator has these features and can be expanded to i n c l u d e o t h e r s , such as r e a c t i o n e q u i l i b r i u m , flowsheet simulation, e t c . An e a r l i e r v e r s i o n o f this program, c a l l e d PROSIM, was described by Edmister and Aguayo at the Summer Computer Simulat i o n Conference in Chicago during J u l y 1977 ( 8 ) . A d d i t i o n s to and improvements in PROSIM have been made d u r i n g the past two years. The present v e r s i o n is described and i l l u s t r a t e d in this paper.


PROGRAM ORGANIZATION A computer program o f this kind f o r performing a wide v a r i e t y of c a l c u l a t i o n s , by a l t e r n a t e methods, is rather large and complicated. The executive, or main, program d i r e c t s the c a l c u l a t i o n s according to c o n t r o l i n s t r u c t i o n s provided by the user, along with f l u i d i d e n t i f i c a t i o n s and q u a n t i t i e s and the problem c o n d i t i o n s . The required p h y s i c a l p r o p e r t i e s and equat i o n constants are a v a i l a b l e in data blocks that are i n t e g r a l p a r t s of the program. There are about 60 subroutines, d i s t r i b u t e d as f o l l o w s : 20 on thermodynamic p r e d i c t i o n s , 12 on petroleum c h a r a c t e r i s t i c s , 6 on v a p o r / l i q u i d equilibria, 3 on data, 4 on compression/ expansion and m u l t i p l e f l a s h , 13 on multistage s e p a r a t i o n , and 3 on output r e p o r t s . These subroutines are l i n k e d together and to the main f o r the performance of 16 types of s i n g l e s t a g e e q u i l i b r i u m c a l c u l a t i o n s and a l i k e number of multistage c a l c u l a t i o n s . The p r i n c i p a l l i n e s of communication between these routines are shown in the schematic diagram, f i g u r e 1. I t is not p o s s i b l e , in the time and space a v a i l a b l e , t o show a l l the d e t a i l s of making and converging the c a l c u l a t i o n s . FLUID COMPONENTS PROSIM is concerned with vapors and l i q u i d s , s e p a r a t e l y or c o e x i s t i n g in e q u i l i b r i u m , and composed of one or more molecular species in each phase. These mixtures may be made o f components from 49 substances c o n s i s t i n g of 39 hydrocarbons and 10 nonhydrocarbons. P h y s i c a l p r o p e r t i e s are given in b l o c k data f o r these 49 components. I t would be a simple matter t o expand this l i s t , i f needed. Petroleum may be included in the process f l u i d s o f the calculations. Mixtures of petroleum and hydrocarbons, or petro leum f r a c t i o n s alone, with no l i g h t hydrocarbons, may c o n s t i t u t e the system. For such mixtures the petroleum feed stock must be d i v i d e d or broken down i n t o small cut-s, or "components," and p h y s i c a l p r o p e r t i e s o f these "components" estimated f o r use in the subsequent c a l c u l a t i o n s . Petroleum breakdowns can be made

Squires and Reklaitis; Computer Applications to Chemical Engineering ACS Symposium Series; American Chemical Society: Washington, DC, 1980.


F I V E LIBRARIES CONTAIN PHYSICAL PROPERTIES FOR PURE COMPONENTS, API CONVERSION FORMULAS FOR PETROLEUM FRACTIONS, AND CONSTANTS NEEDED BY THE SEVERAL THERMODYNAMIC CAL CULATION OPTIONS.

DfiTfl LIBRARIES

UOt 3 DISK: 171 DF: AD8663:D ST: SYM100:S

T. OR 7 L/F; THE

PARTIAL VAPORIZATION OR CONDENSATION AT CONST. Ρ WITH HEAT ADDITION OR REMOVAL.

DITTO ABOVE WITH ONLY L OR V FROM PREVIOUS STAGE.

A SERIES OF FLASH VAPORIZATION OR CONDENSATION W/OECREMENTED Τ OR Ρ OR BOTH.

OPTIONS INCLUDE:

MULTIPLE FLASH CALCULATION OPTIONS

SERVICE SUBROUTINES

OUTPUT IS HANDLED BY THREE SUBROUTINES. THE MULTISTAGE PROGRAMS GENERATE THEIR OWN REPORTS.

REPORT WRITERS

- DEW POINT Ρ OR - BUBBLE POINT Ρ - FLASH T, P. OR GIVEN ANY έ OF 3 CONDITIONS.

SINGLE STAGE CALCULATION

AND

Figure 1.

Program organization—PROSIM

SEVERAL SUBROUTINES ARE EMPLOYED TO PERFORM S P E C I F I C MATHEMATICAL FUNCTIONS SUCH AS CURVE F I T T I N G , SOLVING POLYNOMIALS, SOLVING S P E C I F I C FUNCTIONS, ETC. THESE ARE CALLED FROM VARIOUS PARTS OF THE PROCRAM AS REQUIRED.

- LEE-ERBAR-EDMISTER - CHAO-SEAOER - CRAYSON-STREED SOAVE-REDLICH-KWONC - PENG-ROBINSON - LEE-KESLER-PLOECKER

THERMODYNAMIC CALCULATION OPTIONS

DIRECTS MAJOR PROCRAM A C T I V I T Y . INITIATES ALSO TERMINATES PROCRAM EXECUTION PER USER'S INSTRUCTIONS.

EXECUTIVE PROGRRM

PROGRAM ORGANIZRTION - PROSIM

FIGURE I

PERFORMS ISENTROPIC AND POLYTROPIC COM PRESSION AND EXPANSION, AND ISENTHALPIC EXPANSION CALCULATIONS.

COMPRESSION AND EXPANSION CALCULATIONS


- RIGOROUS TRAY TO TRAY CALCULATION FOR FRACTIONATORS AND ABSORBERS. - SHORT CUT D I S T I L LATION CALCULATION. - SHORT CUT ABSORBER CALCULATION.

THREE MAIN PROGRAMS PROVIDE THE FOLLOWING OPTIONS:

MULTIPLE STAGE CALCULATION OPTIONS

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manually i n t o " h y p o t h e t i c a l " components o f f i n i t e width, or they may be made by the computer i n t o "pseudo" components o f i n f i n i t e s i m a l width. For both h y p o t h e t i c a l and pseudo components, p h y s i c a l p r o p e r t i e s are computed by the same equations, which are based upon the c o r r e l a t i o n s given in the T e c h n i c a l Data Book o f the American Petroleum I n s t i t u t e Q ) . E q u i v a l e n t molar q u a n t i t i e s of these petroleum components are added to the amounts o f the d i s c r e t e (methane, e t c . ) components, to o b t a i n the complete mixture f o r the thermodynamic c a l c u l a t i o n s that follow. The i n t e g r a l method f o r petroleum v a p o r i z a t i o n c a l c u l a t i o n s was described by one o f the authors p r e v i o u s l y (9) and the a p p l i c a t i o n s o f this technique in computer c a l c u l a t i o n s were presented by T a y l o r and Edmister (10) and by L i o n and Edmister (Π). THERMODYNAMIC PROPERTIES Thermodynamic p r o p e r t i e s ( i . e . , f u g a c i t i e s , e n t r o p i e s , and e n t h a l p i e s ) are required by this s i m u l a t i n g program in the c a l c u l a t i o n s o f v a p o r / l i q u i d phase e q u i l i b r i u m , compression/ expansion paths, and heat balances. F u g a c i t i e s are required f o r the i n d i v i d u a l components o f the e x i s t i n g vapor and liquid mixtures. E n t h a l p i e s and e n t r o p i e s are required f o r the vapor mixture or the liquid mixture. A l s o , mixture d e n s i t i e s are required f o r both phases. In a d d i t i o n to these o r d i n a r y thermodynamic p r o p e r t i e s , the temperature and composition d e r i v a t i v e s of the enthalpy and the f u g a c i t y c o e f f i c i e n t s are required in some c a l c u l a t i o n s . The methods used in p r e d i c t i n g these thermodynamic proper t i e s employ: (a) an equation of s t a t e , r e l a t i n g the pressurevolume-temperature c h a r a c t e r i s t i c s o f the f l u i d s ; (b) i d e a l gas s t a t e heat c a p a c i t i e s o f the i n d i v i d u a l components; and (c) b i n a r y i n t e r a c t i o n c o e f f i c i e n t s between the components. The development of these b a s i c r e l a t i o n s h i p s is not w i t h i n the scope of this paper. T e c h n i c a l l i t e r a t u r e sources o f the thermody namic equations and data are given in the r e f e r e n c e s . THERMODYNAMIC METHODS Six a l t e r n a t e methods f o r c a l c u l a t i n g thermodynamic proper t i e s are i n t e g r a t e d i n t o this program. The f i r s t three methods use one s e t of equations f o r the vapor phase and another f o r the liquid, in a s i m i l a r technique. These methods are i d e n t i f i e d as Chao-Seader ( 2 ) , Grayson-Streed (3), and Lee-Erbar-Edmister ( 4 ) . The other three methods employ the same equations f o r both vapor and liquid phases. They are i d e n t i f i e d as Soave-Redlich-Kwong ( 5 ) , Peng-Robinson ( 6 ) , and Lee-Kesler-Ploecker (7, 12). At this w r i t i n g , the present authors have not s e t t l e d on one s i n g l e thermodynamic method as the choice f o r a l l problems. A s i n g l e u n i v e r s a l method may not be p r a c t i c a l .



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Petroleum,

and Associated

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The Chao-Seader and the Grayson-Streed methods are very s i m i l a r in that they both use the same mathematical models f o r each phase. F o r the vapor, the Redlich-Kwong equation o f state is used. This two-parameter generalized pressure-volumetemperature (P-V-T) expression is very convenient because only the c r i t i c a l constants of the mixture components are r e q u i r e d for a p p l i c a t i o n s . F o r the liquid phase, both methods used the regular s o l u t i o n theory o f Scatchard and Hildebrand (26) f o r the a c t i v i t y c o e f f i c i e n t plus an e m p i r i c a l r e l a t i o n s h i p f o r the reference liquid f u g a c i t y c o e f f i c i e n t . Chao-Seader and GraysonStreed d e r i v e d d i f f e r e n t constants f o r these two liquid equat i o n s , however. The Grayson-Streed method was developed f o r hydrogenpetroleum systems at high temperatures and pressures, i . e . , hydrofining conditions. Thus the constants, i n c l u d i n g some c r i t i c a l temperatures and pressures, d i f f e r s l i g h t l y from those recommended in the Chao-Seader method. The Lee-Erbar-Edmister method is of the same type, but uses d i f f e r e n t expressions f o r the f u g a c i t y and a c t i v i t y c o e f f i cients. The vapor phase equation o f s t a t e is a three-parameter expression, and b i n a r y i n t e r a c t i o n c o r r e c t i o n s are i n c l u d e d . The liquid phase a c t i v i t y and f u g a c i t y c o e f f i c i e n t expressions were derived to extend the method to lower temperatures and to improve accuracy. Binary i n t e r a c t i o n terms were i n c l u d e d in the liquid a c t i v i t y c o e f f i c i e n t equation. A m u l t i p l e - p r o p e r t y technique was employed in developing the Lee-Erbar-Edmister equations. In this method, both measured values of the isothermal pressure c o r r e c t i o n to the enthalpy and the P-V-T data are used. The Soave m o d i f i c a t i o n of the Redlich-Kwong equation is the b a s i s f o r the f o u r t h thermodynamic p r o p e r t i e s method. This equation of s t a t e is a p p l i e d to both liquid and vapor phases. Binary i n t e r a c t i o n c o e f f i c i e n t s f o r these a p p l i c a t i o n s are from Reid-Prausnitz-Sherwood (13) and the mathematical d e r i v a t i o n s used here are from Christiansen-Michelson-Fredenslund (14). Temperature and composition d e r i v a t i v e s o f the thermodynamic functions are included in the l a t e r work. These have a p p l i c a t i o n s in multistage c a l c u l a t i o n s . The Peng-Robinson (6) m o d i f i c a t i o n of the Soave-RedlichKwong equation is a f u r t h e r improvement of the Redlich-Kwong equation. The Lee-Kesler (7) g e n e r a l i z e d equation o f s t a t e , which a l s o a p p l i e s to both phases, is the b a s i s f o r the s i x t h thermodynamic p r o p e r t i e s method. As o r i g i n a l l y developed, the LeeK e s l e r equation was f o r p r e d i c t i n g bulk p r o p e r t i e s ( d e n s i t i e s , e n t h a l p i e s e t c . ) f o r the e n t i r e mixture and not f o r c a l c u l a t i n g p a r t i a l p r o p e r t i e s f o r the components of mixtures. Phase e q u i l i b r i u m was not one of the uses that the authors had in mind when they developed the equation. Recognizing the other p o s s i bilities of the Lee-Kesler equation, Ploecker, Knapp, and

American Chemical Society Library 1155 16th St. N. W. Squires and Reklaitis; Computer Applications to Chemical Engineering ACS Symposium Series; American Chemical Washington. D. C. Society: 20036Washington, DC, 1980.

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P r a u s n i t z (12) a p p l i e d the equation to the c a l c u l a t i o n s o f v a p o r / l i q u i d phase e q u i l i b r i a . Component combination r u l e s , i n t e r a c t i o n c o e f f i c i e n t s , and p s e u d o - c r i t i c a l s were a l l p a r t o f the extension o f the equation to this new a p p l i c a t i o n .


EQUILIBRIUM PREDICTIONS There are three independent v a r i a b l e s in c o e x i s t i n g e q u i l i b rium v a p o r / l i q u i d systems, namely: temperature, p r e s s u r e , and f r a c t i o n liquid (or vapor). I f two o f these are s p e c i f i e d in a problem, the t h i r d is determined by the phase behavior o f the system. There are seven types o f v a p o r / l i q u i d e q u i l i b r i a c a l c u l a t i o n s in our program, as in F i g u r e 1 under " S i n g l e Stage Calculation." There are two "do loops" in each o f these e q u i l i b r i u m c a l c u l a t i o n s . When the unknown is e i t h e r temperature or pressure, the inner "do loop" o f 30 i t e r a t i o n s converges on the unknown phase compositions and the outer "do loop" o f 50 i t e r a t i o n s converges on the unknown temperature or p r e s s u r e . When the unknown o f an e q u i l i b r i u m f l a s h c a l c u l a t i o n is the liquid f r a c t i o n , the inner "do loop" o f 30 i t e r a t i o n s converges on the liquid/feed r a t i o and the outer "do loop" converges on the unknown compositions. The precedure used in f i n d i n g an unknown temperature is: (a) Assume a temperature and s e l e c t a second temperature 1.0% higher to give two values o f T, (b) make Κ value and e q u i l i brium c a l c u l a t i o n s at both temperatures, and (c) the tempera tures and summations from these c a l c u l a t i o n s are used in a straight line convergence calculation to estimate a new temperature. For p r e d i c t i n g p r e s s u r e , the procedure is s i m i l a r except that a l o g a r i t h m i c convergence method is used in f i n d i n g the new pressure. In p r e d i c t i n g the liquid/feed r a t i o f o r f l a s h i n g at a given temperature and p r e s s u r e , the Newton-Raphson method is used. T h i s c a l c u l a t i o n requires one f l a s h at an assumed L/F r a t i o , 0.5 being assumed in this program. Tolerances f o r conver gence o f composition and temperature or pressure may be s p e c i f i e d by the user, with d e f a u l t values s e t at one p a r t in 10,000 f o r both K-values and temperature or pressure. E s t i m a t i n g the unknown but required s t a r t i n g values of c o n d i t i o n s and compositions is an important and s e n s i t i v e p a r t of these c a l c u l a t i o n s . The composition o f the feed is always known, as is the composition of one o f the two phases in bubble and dew p o i n t c a l c u l a t i o n s . With the Chao-Seader, GraysonStreed, and Lee-Erbar-Edmister methods, it is p o s s i b l e to assume that both phases have the composition o f the feed f o r the f i r s t trial. This assumption leads to t r o u b l e with the SoaveRedlich-Kwong, the Peng-Robinson and the Lee-Kesler-Ploecker


19.

EDMisTER E T AL.

Hydrocarbons,

Petroleum,

and Associated

Gases

methods, however. A c c o r d i n g l y , the Lee-Erbar-Edmister method is used f i r s t with the Soave-Redlich-Kwong, the Peng-Robinson and the Lee-Kesler-Ploecker to get s t a r t i n g values o f the unknown p r o p e r t i e s and compositions.


SIMPLE PROCESSES Subroutines to make s i m u l a t i o n c a l c u l a t i o n s f o r s e v e r a l simple e q u i l i b r i u m processes are i n c l u d e d in the PROSIM program. The vapor and liquid p r o p e r t i e s and the phase e q u i l i b r i u m condi t i o n s t h a t are r e q u i r e d in these process simulations are found by the thermodynamic and i t e r a t i v e methods described above. The simple processes covered are: (a) m u l t i p l e - f l a s h v a p o r i z a t i o n s with incremented temperatures and/or pressures; (b) m u l t i p l e partial condensations with incremented temperatures and/or pressures on the o r i g i n a l vapor or the vapor remaining from the previous condensation c a l c u l a t i o n ; (c) f l a s h v a p o r i z a t i o n (or condensation) to f i n d the duty of the heater (or c o o l e r ) in the process; (d) multistage compression o f gas mixtures, with i n t e r stage c o o l i n g and liquid knockout, i f d e s i r e d ; (e) gas expansion through turboexpander f o r c o o l i n g o r through t h r o t t l e v a l v e f o r c o o l i n g or pressure r e d u c t i o n ; and ( f ) flow o f compressible f l u i d s through nozzles or t r a n s f e r l i n e s , where flow is c r i t i c a l at the o u t l e t . Compression and expansion processes are f o r l i g h t gases only, excluding petroleum f r a c t i o n s , f o r which the program does not c a l c u l a t e entropy. The f l a s h and condensation processes are for a l l compositions. MULTISTAGE PROCESSES M u l t i p l e e q u i l i b r i u m stage processes simulated in this program are distillation, absorption, and s t r i p p i n g . Both simple and r e b o i l e d absorbers are i n c l u d e d , and m u l t i p l e feed plus side-stream products are p o s s i b l e from the f r a c t i o n a t o r s . Matrix- and short-cut-type s o l u t i o n methods are provided in separate subroutines. The matrix method was presented by T a y l o r and Edmister (15, 10) as a " g e n e r a l " s o l u t i o n f o r multicomponent multistage sepa r a t i o n c a l c u l a t i o n s , being capable of s o l v i n g v a r i o u s c o n f i g u r a t i o n s o f e q u i l i b r i u m stage processes. O r i g i n a l l y , the Κ and Η values were in e m p i r i c a l equation form, with the user p r o v i d ing the constants of the equations. Now that TAYLOR is a sub routine of the l a r g e r algorithm, there are two options on t h e r modynamic p r o p e r t i e s t h a t the user can choose: (a) polynomial curve f i t s t o values at three p o i n t s in the column, or (b) d i r e c t e v a l u a t i o n of the Κ and Η values every time they are r e quired in the program. The curve f i t s are made a u t o m a t i c a l l y t o the r e s u l t s of three e q u i l i b r i u m c a l c u l a t i o n s on the feed, making it unnecessary f o r the user to do any intermediate data handling.



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APPLICATIONS TO CHEMICAL

ENGINEERING

As it p r e s e n t l y operates, TAYLOR uses numerical d e r i v a t i v e s in s o l v i n g the matrix, the o r i g i n a l method of the authors. Present improvements i n c l u d e a n a l y t i c a l d e r i v a t i v e s with both sources of Κ and Η v a l u e s . Only temperature and liquid rate d e r i v a t i v e s are used in this method. Composition d e r i v a t i v e s are not used. Instead, the compositions are computed in a separate t r i d i a g o n a l matrix. This method was used to save time and core in the computer. With a n a l y t i c a l derivatives, the TAYLOR method should handle a l l problems. I f not, composition d e r i v a t i v e s will be added to the matrix s o l u t i o n in the manner of N a p h t a l i and Sandholm (16). In the TAYLOR method, the number of e q u i l i b r i u m stages are f i x e d by the user, as are the amounts of products, i n c l u d i n g side-streams. As options, the r e f l u x r a t i o may be s p e c i f i e d or found in the c a l c u l a t i o n s . As output, the program gives the complete temperature, flow r a t e , and composition g r a d i e n t s . A s h o r t - c u t design method f o r distillation is another subroutine. T h i s method is based upon the minimum r e f l u x of Underwood (17, 18, 19, 20), the minimum stages of Fenske (21) and Winn (22), and the r e f l u x vs stages c o r r e l a t i o n of Erbar and Maddox (23) and Gray (24). In SHORT, which uses polynomial Κ and Η values, the r e q u i r e d number of e q u i l i b r i u m stages may be found f o r a s p e c i f i e d m u l t i p l e of minimum r e f l u x , or a l t e r n a t i v e l y , the r e f l u x r a t i o may be found f o r a given m u l t i p l e of minimum stages. Another multistage method i n c l u d e d in the program is the absorption and s t r i p p i n g f a c t o r method of Edmister (25). ASFPH, as it is c a l l e d , can simulate simple and r e b o i l e d absorbers and also fractionators. The method used does not have very good convergence c h a r a c t e r i s t i c s ; however, it is of value in studying p l a n t performance data. CONCLUSION A computer algorithm f o r s i m u l a t i n g e q u i l i b r i u m stage processes'while p r e d i c t i n g the r e q u i r e d thermodynamic p r o p e r t i e s , has been presented in this paper. With o p t i o n a l methods f o r p r o p e r t i e s p r e d i c t i o n s and f o r multistage s e p a r a t i o n c a l c u l a t i o n s and petroleum s l i c i n g c a p a b i l i t y , the program o f f e r s the process i n d u s t r i e s v e r s a t i l e t o o l s f o r s i m u l a t i o n and design. With a l l it f e a t u r e s , the PROSIM program needs f u r t h e r improvements, e s p e c i a l l y in the convergence procedures f o r both single-and m u l t i p l e - s t a g e c a l c u l a t i o n s . Work is proceeding on this at the present time. Another l o g i c a l extension of the program is to flowsheet s i m u l a t i o n , as w e l l as reduced crude properties prediction.


19.

EDMISTER E T A L .

Hydrocarbons,

Petroleum,

and Associated

Gases

351


LITERATURE CITED 1.

"Technical Data Book - Petroleum Refining, 2nd Ed."; can Petroleum Institute, Division of Refining: ington, DC., 1970.

Ameri Wash

2.

Chao, K. C., and Seader, J. D. "A General Correlation of Vapor-Liquid Equilibrium Mixtures," AIChE Journal 1961 7, 598.

3.

Grayson, H. C., and Streed, C. W.,. "Vapor-Liquid Equilibria for High Pressure, High Temperature Hydro gen-Hydrocarbon Systems,"; "Proceedings of 6th World Petroleum Congress, Sect III, 1963." Frankfurt, June 1963. p 223.

4.

Lee, Β. I., Erbar, J. Η., and Edmister, W. C. " Prediction of Thermodynamic Properties for Low Temperature Hydro carbon Process Calculations," AIChE Journal, 1973, 19, 349.

5.

Soave, G. "Equilibrium Constants Kwong Equation of State," 1197.

6.

Peng, D. Υ., and Robinson, D. Β., "A New Two-Constant Equation of State," IEC Fundamentals, 1976, 15, 59.

7.

Lee, Β. I., and Kesler, M. G. "A Generalized Thermody namic Correlation Based on Three-Parameter Corre sponding States," AIChE Journal, 1975, 21, 510.

8.

Edmister, W. C., and Aguayo, G. "Computer Simulation of Petroleum Separation Processes,"; "Summer Computer Simulation Conference," Chicago, July 1977.

9.

Edmister, W. C., "Improved Integral Method for Petroleum Distillation Calculations," Ind Eng Chem, 1955, 47, 1695.

from a Modified RedlichChem Eng Sci, 1972, 27,

10. Taylor, D. L., and Edmister, W. C. "Solutions for Dis tillation Processes Treating Petroleum Fractions," AIChE Journal, 1971, 17, 1324. 11.

Lion,

A. R., and Edmister, W. C. "Make Equilibrium Cal culations by Computer," Hydrocarbon Processing, 1975, August, p 119.

12. Ploecker, U., Knapp, Η., and Prausnitz, J. "Calculation of High-Pressure Vapor-Liquid Equilibria from a Corre sponding States Correlation with Emphasis on Asym metric Mixtures," I&EC Process Design and Development, 1978, 17, 324. Squires and Reklaitis; Computer Applications to Chemical Engineering ACS Symposium Series; American Chemical Society: Washington, DC, 1980.


352

COMPUTER APPLICATIONS T O CHEMICAL ENGINEERING

13.

Reid, R. C., Prausnitz, J. Μ., and Sherwood, T. K. "The Properties of Gases and Liquids, 3rd Ed." McGraw-Hill Book Company: New York, 1977.

14.

Christiansen, L. J., Michelson, M. L., and Fredenslund, A. "Successive Approximation Distillation Calculations Using the Soave-Redlich-Kwong Equation of State," "12th Symposium on Computer Application to Chemical Engineering," Montreaux, Switzerland, 1979.

15.

Taylor, D. L. and Edmister, W. C. "General Method for Multicomponent Distillation Calculations," Journal Chem Engr. Sym, Series No. 32," 1969, Inst of Chem Engr. London.

16.

Naphtali, L. M. and Sandholm, D. P. "Multicomponent Sep aration Calculations by Linearization," AIChE Journal, 1971, 17, 148.

17.

Underwood, A. J.

V. Journal Inst Petrol,

1944, 30,

225.

18.

Underwood, A. J.


1945, 31,

111.

19.

Underwood, A. J.


1946, 32,

598,

614. 20.

Underwood, A. J. V. Chem Eng Progr, 1946, 44, 603

21.

Fenske, M. R. "Fractionation of Straight-Run Pennsylvania Gasoline," Ind Eng Chem, 1932, 24, 482. Winn, F. W. "New Relative Volatility Method for Distillation Calculations" Pet Ref, 1958, 37, 216.

22. 23.

Erbar, J. Η., and Maddox, R. N. "Latest Score: Reflux Trays" Pet Ref, 1961, 40, 183.

24.

Gray, J. R. "Reflux-Trays Calculation for Multicomponent Distillation Systems," MS Thesis, Oklahoma State Uni versity, May 1968.

25.

Edmister, W. C. "Absorption and Stripping Factor Functions for Distillation Calculations by Manual and Digital Computer Methods," AIChE Journal, 1957, 3, 165.

26.

Hildebrand, J. Η., and Scott, R. L. "Regular Solutions," Prentice Hall; Englewood Cliffs, N. J., 1962.

RECEIVED November 5, 1979.


vs.

Process Simulation for Mixtures of Hydrocarbons, Petroleum, and

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