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INTRODUCTION
When a large number of computations are made and/or
high accuracy is required, engine cycle process calculations are carried out on a computer. Relationships which
model the composition and/or thermodynamic properties of unburned and burned gas mixtures have been
developed for computer use. The most complete models
are based on polynomial curve fits to the thermodynamic
Paper accepted July 1990. Discussion closes April 1991.
190
~ ComputationalMechanicsPublications
(4a)
i = 0 -- 3
(4b)
C P L = CP1 + 12 x CP 2
P V t = A t + A 2 / T R + A 3 x In(TR) + A 4 x T R 6 (la)
P V 2 = B 1 + B 2 / T R + B 3 x ln(TR) + B 4 T R 6 (lb)
(lc)
P V R = EXP(PV1 + W x PV2)
i=0-7forTR>0.4
H V = ~ K~ x T R i
(5b)
i=0-5
i=0+4
(2a)
DI = ~ Ei x PR i
i=0+4
(2b)
D2 = E F i x P R i
i= 0- 4
i=0+4
(2c)
(2d)
D E N S L = ~ D~ x T R ~ i = 0 + 3
(2e)
i=0-3
(3a)
T R B i / ( i + 1)
i=03
(3b)
(3c)
forP= lbar
(6a)
log (D VISC/D V I S C A ) =
P x (NI + N2 D V I S C A '27s) for P > l b a r (6b)
The relationships are to be used for reduced temperatures less than 0.75 having an average error of less than
5 %. Eq (6a) has been developed in the present work by
least square fitting to the experimental data available
from Ref. 17.
Liquid thermal conductivity
CD 1 = R 1 +
Do = ~ Ci x P R i
E N T H = (EN1 + 12 EN2) T
(5a)
COND = Q1 + Q2 x T
Liquid density
i x PR i
(4c)
D V I S C A = ~ . L i x Ti
Vapour pressure
ENE=~HEiX
i= 0+ 3
PROPERTIES SUBROUTINES
Da=~G
CP 1 = ~, Hli x T R B i
R2 x
TR +
CD 2 = S 1 q- S 2 x P R +
+ $4 x T R 2 / E X P ( P R / 5 )
(7b)
R 3 x TR 2
S3 x
(7a)
TR
(7c)
forTR
> 1.894
(7d)
(8)
The average error is less than 11%. Equation (8) has been
taken from Ref. 17.
During the development of the program PROPERTIES, the correlations used compared favourably with
estimating methods presented in Ref. 13.
191
CASE STUDY
A l t h o u g h the s t r u c t u r e a n d a p p l i c a t i o n of t h e p r o g r a m
has b e e n d e s c r i b e d , a n e x a m p l e is g i v e n in A p p e n d i x A
a n d listed in A p p e n d i x B. T h e t h e r m o d y n a m i c a n d
t r a n s p o r t p r o p e r t i e s of N - D o d e c a n e , in the l i q u i d phase,
are c a l c u l a t e d for T e m p e r a t u r e = 100 C a n d P r e s s u r e =
5 bar.
REFERENCES
1 Gordon, S. and McBride, B. J. Computer Programfor the Calculation of Complex Chemical Equilibrium Composition Rocket Performance, Incident and Reflected Shocks, and Chapman-Jouguet
Detonations, NASA publication SP-273, 1971 (NTIS number N7137775)
2 Svehla, R. A. and McBride, B. J. FORTRAN IV Computer Program for Calculation of Thermodynamic and Transport Properties
of Complex Chemical Systems, NASA technical note TND-7056,
1973 (NTIS number N73-15954)
3 Olikara, C. and Borman, G. L. A computer Program for Calculating Properties of Equilibrium Combustion Products with Some
Applications to L C. Enoines, SAE Paper 750468, 1975
4 Krieger, R. B. and Borman, G. L. The computation of apparent
heat release for internal combustion engines, Proc. Diesel Gas
Power Conf., 1966, ASME paper 66-WA/DGP-4
5 JANAF Thermochemical Tables, 2nd ed., NSRDS-NB537, U.S.
National Bureau of Standards, 1971
6 Hires, S. D., Ekchian, A., Heywood, J. B., Tabaczynski, R. J. and
Wall, J. C. Performance and NOx Emissions Modelling of a Jet
Ignition Prechamber Stratified Charge Engine, SAE paper 760161,
1976
7 By, A., Kempinski, B. and Rife, J. M. Knock in Spark Ionition
Engines, SAE paper 810147, 1981
8 Rossini, F. D., Pitzer, K. S., Arnett, R. L, Braun, R. M. and
Primentel, G. C. Selected Values of Physical and Thermodynamic
Properties of Hydrocarbons and Related Compounds, Carnegie
Press, Pittsburgh PA., 1953
1
2
4
5
192
PROGRAM PROPERTIES
OPEN ( 4 , F I L E = ' C R . R E S ' , S T A T U S = ' N E W ' )
WRITE (*,I)
FORMAT ( I X , ' T e m p e r a t u r e [C] = ')
READ (*,*) TEMPC
WRITE (*,2)
FORMAT (iX,'Pressure [bar]= ')
READ (*,*) PRES
P R E S = P R E S * I .E5
CALL LHVAP(TEMPC, HV)
CALL V A P R E S ( T E M P C , P V )
CALL D E N S L I Q ( T E M P C , P R E S , D E N S L )
CALL SURTEN(TEMPC, SURT)
CALL VI SC (TEMPC, PRES, DVI SC)
CALL C O N D U C ( T E M P C , P R E S , COND)
CALL CPLIQ (TEMPC, CPL)
CALL E N T H A L ( T E M P C , E N T H )
WRITE (4,3) T E M P C , P R E S / I . E 5
FORMAT (iX,'Temperature [C]=',F6.2,3X,'Pressure
WRITE (4,14)
WRITE (4,4) P V / I . E 5
FORMAT (iX,'Vapour Pressure [bar]=',Fl2.8)
WRITE (4,5) DENSL
FORMAT (iX,'Liquid D e n s i t y [kg/m3]=',FS.3)
WRITE (4,7) ENTH/1000.
[bar]='
F6
2)
7
8
9
10
ii
12
13
14
16
17
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
FORMAT
WRITE
CLOSE
STOP
END
C* FUEL P R O P E R T I E S
C*
NAME
: N-DODECANE
C*
C*
C*
C*
FORMULA
MOLECULAR WEIGHT
F R E E Z I N G P O I N T (at 1 arm)
B O I L I N G P O I N T (at 1 atm)
CRITICAL TEMPERATURE
CRITICAL PRESSURE
CRITICAL VOLUME
C R I T I C A L C O M P R E S S I B I L I T Y FACTOR
S P E C I F I C G R A V I T Y 60F/60F
ACENTRIC FACTOR
W A T S O N C H A R A C T E R I Z A T I O N FACTOR
:
:
:
:
:
:
:
:
:
:
:
C*
C*
C*
C*
C*
C*
C*
C12H26
MW=170.33
TF=474.44 R=263.56 K=-9.59 C
TB=881.00 R=489.43 K=216.28C
TCR=II84.gR=658.26 K=385.11C
PCR=264. psia=lS.2E5 N/m2
V C R = 0 . 0 6 6 9 f t 3 / I b = 4 . 1 7 6 5 E - 3 m3/k
ZCR=0.237
SGR=0.7526
W=0.5622
K=12.74
C
C
BLOCK
DATA
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
COMMON/BBBI/BOO,BOI,BO2,BO3,BIO,BII,BI2,BI3,B20,B21
COMMON/BBB2/B22,B23,B30,B3!,B32,B33,B40,B41,B42,B43
C O M M O N / C O N S / A , B , C , D , A A , B B , C C , DD
DATA PCR,TCR,VCR,ZCR,TB/264.0,1184.9,0.0669,0.237,881.O/
DATA B 0 0 , B 0 1 , B 0 2 , B 0 3 , B I 0 , B I I , B I 2 , B I 3 , B 2 0 , B 2 1 /
+1.6368,-1.9693,2.4638,-1.5841,-0.04615,0.21874,-0.36461,
0.25136,2.1138E-3,-8.0028E-3/
DATA B 2 2 , B 2 3 , B 3 0 , B 3 1 , B 3 2 , B 3 3 , B 4 0 , B 4 1 , B 4 2 , B 4 3 /
I2.8763E-3,-II.3805E-3,-O.7845E-5,-8.2328E-5,14.8059E-5,
9.5672E-5,-0.6923E-6,5.2604E-6,-8.6895E-6,2.1812E-6/
DATA A,B,C,D,AA,BB,CC,DD/0.84167,-I.4704,1.67165,-0.59198,
-0.003826,-0.000747,0.041126,-0.01395/
END
C
Adv. Eng. Software, 1990, Vol. 12, No. 4
193
C
S U B R O U T I N E LHVAP(TEMPC,HV)
C * * S u b r o u t i n e L H V A P estimates the latent h e a t of v a p o r i z a t i o n * * * * * * * *
C * * T E M P C [C], HV [ J / k g ] * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C * * E r r o r <2% ; for reduced t e m p e r a t u r e s a b o v e 0.97 : error < i 0 % * * ~ * * *
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
IF
(TEMPC.GT.385.)
GOTO 65
TEMPF=9.*TEMPC/5.+32.
50
65
60
TR=(TEMPF459.7)/TCR
I F ( T R . G E . 0 . 4 ) GOTO 50
TRA=(725.2-TEMPF)/303.9
HV=366095.*TRA**0.38
G O T O 60
POLYI=666.511-7457.69*TR35956.7*TR**2.
POLY2=-95009.2*TR**3.I48446.*TR**4.
POLY3=-I37210.*TR**5.469506.4*TR**6.-14897.7*TR**7.
HVRED=POLYI+POLY2+POLY3
HV=32113.6*HVRED
GOTO 60
HV=0.0
RETURN
END
C
C
SUBROUTINE VAPRES(TEMPC,PV)
C * * S u b r o u t i n e VAPRES e s t i m a t e s the vapor * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C * * T E M P C [C], PV [ N / m 2 ] * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C**For reduced t e m p e r a t u r e s above 0.3 : error * * * * * * * * * * * * * * * * * * * * * * *
C O M M O N / C R I T / P C R , T C R , V C R , ZCR,TB
TT=(TEMPC*9./5.+491.7)/TCR
PRLN0=5.92714-6.09648/TT-I.28862*ALOG(TT)+0.169347*TT**6.
PRLNI=IS.2518-15.6875/TT-13.4721*ALOG(TT)+0.43577*TT**6.
PRLN=PRLN0+0.5622*PRLN1
PVR=EXP(PRLN)
PV=6894.7591*PVR*PCR
RETURN
END
C
C
SUBROUTINE DENSLIQ(TEMPC,PRES,DENSL)
C * * S u b r o u t i n e DENSLIQ e s t i m a t e s the liquid d e n s i t y * * * * * * * * * * * * * * * * * * *
C * * T E M P C [C], PRES IN/m2], DENSL [ k g / m 3 ] * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C**Error <1% ; for reduced t e m p e r a t u r e s above 0.95 : error <8%*******
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
COMMON/BBBI/B00,B01,B02,B03,BI0,BII,BI2,BI3,B20,B21
COMMON/BBB2/B22,B23,B30,B31,B32,B33,B40,B41,B42,B43
TT=(TEMPC*9./5.+491.7)/TCR
PP=PRES/6894.7591/PCR
A02=B00+BI0*PP+B20*PP**2.+B30*PP**3.+B40*PP**4.
AI2=B01+BII*PP+B21*PP**2.+B31*PP**3.+B41*PP**4.
A22=B02+BI2*PP+B22*PP**2.+B32*PP**3.+B42*PP**4.
A32=B03+BI3*PP+B23*PP**2.+B33*PP**3.+B43*PP**4.
CC2=A02+AI2*TT+A22*TT**2.+A32*TT**3.
DENSL=675.27569*CC2
RETURN
END
C
194
C
SUBROUTINE CPLIQ(TEMPC,CPL)
C**Subroutine CPLIQ estimates the liquid heat capacity***************
C**TEMPC [C], CPL [J/kg/K]*******************************************
C**Error ************************************************************
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
COMMON/CONS/A,B,C,D,AA,BB,CC,DD
TT=TEMPC*9./5.+491.7
TT=TT/TB
CPI=A+B*TT+C*TT**2.+D*TT**3.
CP2=AA+BB*TT+CC*TT**2.+DD*TT**3.
CPL=4186.7*(CPI+I2.*CP2)
RETURN
END
C
C
SUBROUTINE ENTHAL(TEMPC,ENTH)
C**Subroutine ENTHAL estimates the liquid enthalpy*******************
C**TEMPC [C], ENTH [J/kg] ; ENTH0(0 K)=0.0 **************************
C**Error ************************************************************
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
COMMON/CONS/A,B,C,D,AA, BB,CC,DD
TT=TEMPC*9./5.+491.7
TR=TT/TB
ENTHI=A+B*TR/2.+C*TR**2./3.+D*TR**3./4.
ENTH2=AA+BB*TR/2.+CC*TR**2./3.+DD*TR**3./4.
ENTH=2326.*(ENTHI+I2.*ENTH2)*TT
RETURN
END
C
SUBROUTINE VISC(TEMPC,PRES,DVISC)
C**Subroutine VISC estimates the absolute viscosity of liquid********
C**TEMPC [C], PRES [N/m2], DVISC [Ns/m2]*****************************
C**Error ************************************************************
IF(TEMPC.GT.245.) GOTO i00
TT=9.*TEMPC/5.+32.
PP=PRES/6894.7591
DV01=3.21248-3.81521E-2*TT+2.40018E-4*TT**2.
DV02=-8.33717E-7*TT**3.~I.4875E-9*TT**4.
DV03=-l.05978E-12*TT**5.
DV0=DV01+DV02+DV03
DVOE=0.0239+0.01638*DV0**0.278
ALOGV=PP*DVOE/1000.
DVRED=10.**ALOGV
DVISC=DVRED*DV0/1000.
GOTO ii0
100
DVISC=0.
ii0
RETURN
END
C
195
C
SUBROUTINE CONDUC(TEMPC,PRES,COND)
C * * S u b r o u t i n e C O N D U C e s t i m a t e s the liquid thermal c o n d u c t i v i t y * * * * * * *
C * * T E M P C [C], PRES [N/m2], C O N D [ W / m / K ] * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C**Error ************************************************************
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
20
30
TT=TEMPC*9./5.+32.
TR=(TT~459.7)/TCR
PR=PRES/6894.7591/PCR
I F ( P R . L E . I . 8 9 4 ) GOTO 20
CI=I8.42-7.764*TR-I.681673*TR**2.
C2=I7.770.65*PR-7.764*TR-2.054*TR**2./EXP(0.2*PR)
CONDI=0.07727-4.558E-5*TT
COND=I.729578*CONDI*C2/C1
G O T O 30
COND=I.729578*(0.07727-4.558E-5*TT)
RETURN
END
C
C
S U B R O U T I N E S U R T E N ( T E M P C , SURT)
C * * S u b r o u t i n e SURTEN e s t i m a t e s the s u r f a c e t e n s i o n * * * * * * * * * * * * * * * * * * *
C * * T E M P C [C], SURT * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
C**Error ************************************************************
COMMON/CRIT/PCR,TCR,VCR,ZCR,TB
IF
(TEMPC.GT.385.)
GOTO
45
TR=(TEMPC*9./5.+491.7)/TCR
45
55
SURT=0.0528806*(I.-TR)**I.232
G O T O 55
SURT=0.0
RETURN
END
A P P E N D I X B: O U T P U T L I S T I N G
Temperature [C]=I00.00
P r e s s u r e [bar]=
5.00
************************************************
V a p o u r P r e s s u r e [bar]=
0.02096625
L i q u i d D e n s i t y [kg/m3]= 692.406
L i q u i d S p e c i f i c E n t h a l p y [kJ/kg]=
886.17670
L i q u i d S p e c i f i c Heat C a p a c i t y [kJ/kg/K]=
2.470
L a t e n t Heat of V a p o u r i z a t i o n [kJ/kg]= 3 1 1 . 0 6 1
L i q u i d D y n a m i c V i s c o s i t y [cP]=
0.32196700
L i q u i d K i n e m a t i c V i s c o s i t y [cSt]=
0.73384540
S u r f a c e T e n s i o n [N/m]=
0.01886226
L i q u i d T h e r m a l C o n d u c t i v i t y [W/m/K]=
0.1169
************************************************
WHEN A V A L U E OF A P R O P E R T Y IS SET UP TO 0.0 THE
E Q U A T I O N S USED ARE OUT OF R E L I A B I L I T Y R E G I O N
************************************************
196