BAE COMBUSTION

FORMULAS AND TABLES

Basic data and formulas

‒ 1atm=101325Pa=1013.25 mbar= 760 torr, 1torr=1.33 mbar

‒ 1cal = 4.19J, 1J =0,24 cal
‒ Ru = 8.31 J/mol-K = 1.99 cal/mol-K
‒ NAvogrado=6.021023 particles/mol
‒ Atomic mass numbers: AH=1, AC=12, AN=14, AO=16,
‒ Air simplified composition: XO2 = 21%, XN2 = 79%  3.76 XO2, Wair  28.8g/mol
‒ Standard atmosphere: p0=1atm, T0=298K, c0=40.87 mol/m3

Thermochemical definitions and expressions

‒ Ideal gas law: p  cRuT   RT

‒ Enthalpy: H  U  pV , h  u  p   u  RT , h  u  p / c  u  RuT

Standard enthalpy: h T   h f (T0 )  hs T  , hs T    c p dT

T
‒
T0

p T dT
‒ Entropy: s (T , p )  s (T )  Ru ln
0
, s 0 (T )  s 0 (T0 )   c p
p0 T0 T
‒ Gibbs function: G  H  TS
p
g (T , p )  h  Ts  g 0 (T )  TR ln with g 0 (T )  h(T )  Ts 0 (T )
p0
p
Chemical potential:   g  h  Ts  g (T )  TRu ln
0

p0

‒ First law:  Q  dU  pdV  dH  Vdp ,  q  du  pd (1  )  dh  dp 

 In open control volume (cv): H out  H in  m(hout  hin )  Qcv  Wcv
‒ Second law: TdS   Q  T  Sirr  0

‒ Gas mixtures: Molar and mass fractions, mean molar mass:

Ni mi W
Xi  , Yi   Xi i , W   X iWi or W 1   YW
i i
1

N m W
p
 Entropy of a mixture: s (T , p, X i )  s (T )  Ru ln
0
 Ru  X i ln X i1
p0

1
Chemical equilibrium

‒ Generic (forward/backward) reaction:  A  

i
'
i i
''
Ai
dN1 dN 2
‒ Progress of the reaction:   ...  const,  i   i''  i'
1 2
‒ Chemical equilibrium of single reaction:   i i 0
i i
p  c  p0
‒ Equilibrium constant: K p (T )    i  =  i  with c0 
 p0   c0  RuT
 Exothermic reactions have dKp /dT<0

Chemical kinetics

N N
‒ Set of L reactions with N species:  'ji Aj
j 1

j 1
''
ji Aj i  1,...L

‒ Production rate of species j in reaction i:

d [ Aj ] N N
  ji qi , with qi  k fi  [ Aj ] ji  kbi  [ Aj ]
'  ''ji

dt j 1 j 1

d [ Aj ] L
‒ Net production rate of species j:   j (T ,[ A1 ],...,[ AN ]), with  j   ji qi
dt i 1

Well-stirred reactor

 m2  m1  m  const
V
 Yi 2  Yi1  Wi i , with i based on 'averaged' reactor conditions.
m
 h2  h1  Qwall m , with h2   Yi 2 hi (T2 ), h1   Yi1hi (Ti1 )

Plug-flow reactor (low speed)

 A v  const  m,
dYi A
  Wii , (with Wii  0)
dx m
 p const
dh dT
 m  A hWi ii  mc p  pQwall
''
, with c p   Yi c pi ,
dx dx
''
Qwall [W m 2 ]  heat injected through walls, p  section perimeter

2
Continuity equations with mass diffusion


     v  0,    i , v   Yi vi ,
t
i
    i vi  Wii
t
 Fick's law for wi  vi  v: wi   Di ln Yi
Yi
    v Yi     Di Y  Wii
t

Binary diffusion coefficients

‒ For other temperatures take DAB (T , p)  T 3/2 p

1D Stefan model for liquid evaporation and diffusion

1  YA ( x) x D
 exp , LY 
1  YA, s LY m
x 
T ( x)  C1exp  C2 , LT 
LT m
dT
At liquid interface: mhlg   c p (0)
dx
psat (Ts ) p0  hlg 1 1 
X A, s   exp     
p p  Ru  Ts Tboil  

3
Enthalpy of formation

4
Heat capacities

5
Sensible enthalpy change

6
Heats of vaporization

‒ Clasius-Clapeyron equation for saturation pressure of liquids

dpsat hlg dTsat psat (T )  h T T 

   exp   lg boil 
psat Ru Tsat2 p0  Ru TboilT 

7
Chemical equilibrium constants

8
HC global reaction rate parameters

9
Selected properties of hydrocarbon fuels (1)

10
Selected properties of air (at 1atm)

‒ K   c p
‒ For other pressures, take  (T , p)  p 1

11
Selected properties of nitrogen and oxygen (at 1atm)

12