MODELING CHAR OXIDATION AS A FUNCTION OF PRESSURE ...
MODELING CHAR OXIDATION AS A FUNCTION OF PRESSURE ... MODELING CHAR OXIDATION AS A FUNCTION OF PRESSURE ...
d 2 C 2 dC 2 + dr r dr O ′ ′ − r in (C) = 0 (4.4) De where r in ′ is the molar carbon consumption rate per unit particle volume as a function of C, D e is the effective diffusivity, O is the stoichiometric coefficient of oxygen for each mole of carbon consumed in the reaction, C is the local oxygen concentration as a function of r, and r is the radial distance from the origin. The boundary conditions are and C = C s, at r = r s dC dr 30 (4.5) = 0 , at r = 0. (4.6) Substituting the Langmuir rate equation into Eq. (4.4) and normalizing the resulting equation lead to: d 2 2 d 2 + d d − r 2 s k1 De 1+ KCs = 0 (4.7) where = C/C s , and = r/r s. If an intermediate modulus is defined as: M 1 = r s 3 k 1 D e Eq. (4.7) can be re-written as: d 2 2 d 2 + d d − 9M 2 1 1 + KCs . (4.8) = 0 . (4.9) By using similar techniques of Patankar (1980) and central differences for first and second order derivatives, Eq. (4.9) is discretized to: where a P i = a E i + 1 + a W i −1 + b , i = 2, 3, 4, …, N (4.10) a E = a W = 1 1 + (i +1) − (i) (i) 1 1 − (i) − (i −1) (i) , (4.11a) , (4.11b) a P = a W + a E , (4.11c)
2 [ (i +1) − (i − 1)] i b = −9M1 2 1+ KCs i 31 , (4.11d) and N + 1 is the number of grid points in the radial coordinate in this model (therefore the spherical particle is divided into N layers). The boundary conditions are: n+1 1 = 2 =1, (4.12a) . (4.12b) For m-th order rate equations, the discretization equations are the same as Eq. (4.10) and Eq. (4.11) except that Eq. (4.8) and (4.11d) are replaced by: M 1 = r s 3 m −1 kmCs De 2 [ (i +1) − (i − 1)] b = −9M1 2 , (4.13) m i . (4.14) As mentioned previously, in Zone II the effectiveness factor is approximately 1/M T. Therefore as M T gets large, only a small fraction (can be roughly estimated as 1/M T) of the radial particle layers are accessible to oxygen. To maintain the accuracy of the model, the number of layers into which the particle is divided must be increased linearly with M T. However, when the number of layers is too large, the computation is very slow and the round-off errors may prevent further improvement of accuracy through grid refinement. The number of layers N in the radial coordinate was chosen to be: N = max( 150,150 MT ) . (4.15) Non-uniform gridding was used, where each layer was given the same volume (V p/N), in order to reduce numerical errors.
- Page 1 and 2: MODELING CHAR OXIDATION AS A FUNCTI
- Page 3 and 4: BRIGHAM YOUNG UNIVERSITY As chair o
- Page 5 and 6: CBK model uses: 1) an intrinsic Lan
- Page 7 and 8: Table of Contents List of Figures..
- Page 9: Appendices.........................
- Page 12 and 13: Figure A.2. Mass releases of the Ko
- Page 14 and 15: Table 7.6. Parameters Used in Model
- Page 16 and 17: Ed activation energy of desorption,
- Page 18 and 19: vc the volume of combustible materi
- Page 21 and 22: Background 1. Introduction The rate
- Page 23: the CBK model developed at Brown Un
- Page 26 and 27: Zone III rate ∝ C og E obs → 0
- Page 28 and 29: coal-general kinetic rate constants
- Page 30 and 31: Boundary Layer Diffusion The molar
- Page 32 and 33: = q obs q max The factor can be use
- Page 34 and 35: where k 1 and K are two kinetic par
- Page 36 and 37: particle can therefore be convenien
- Page 38 and 39: This is the first time that the gen
- Page 40 and 41: Data of Mathias Mathias (1996) perf
- Page 42 and 43: urn with shrinking diameters, and t
- Page 45 and 46: 3. Objectives and Approach The obje
- Page 47 and 48: Introduction 4. Analytical Solution
- Page 49: Task and Methodology Task One of th
- Page 53 and 54: Table 4.1. The Relative Error * (%)
- Page 55 and 56: The resulting observations regardin
- Page 57 and 58: correction. The values of functions
- Page 59 and 60: Table 4.6. The Relative Error* (%)
- Page 61 and 62: Table 4.8. The Relative Error* (%)
- Page 63 and 64: general asymptotic solution. An arc
- Page 65 and 66: 5. Theoretical Developments The int
- Page 67 and 68: order of a reaction is usually dete
- Page 69 and 70: nobs = 1 (KCs ) 2 2 1 [KCs − ln(1
- Page 71 and 72: The observed reaction order in Zone
- Page 73 and 74: Bulk Diffusion vs. Knudsen Diffusio
- Page 75 and 76: where D K is in cm 2 /sec, r p is t
- Page 77 and 78: where T p is in K, P is in atm. The
- Page 79 and 80: Both of these assumptions are argua
- Page 81 and 82: 2 r obs ′ − [kD Pog + k d + kD
- Page 83 and 84: oxygen partial pressure (Suuberg et
- Page 85 and 86: Farrauto and Batholomew (1997) prop
- Page 87: assumes a homogeneous, non-interact
- Page 90 and 91: Single-Film Char Oxidation Submodel
- Page 92 and 93: where and An energy balance is used
- Page 94 and 95: where is the empirical burning mode
- Page 96 and 97: calculation uses a 7 × 7 × 7 matr
- Page 98 and 99: HP-CBK Model Development The HP-CBK
2 [ (i +1) − (i − 1)] i<br />
b = −9M1 2 1+ KCs i<br />
31<br />
, (4.11d)<br />
and N + 1 is the number of grid points in the radial coordinate in this model (therefore the<br />
spherical particle is divided into N layers). The boundary conditions are:<br />
n+1<br />
1 = 2<br />
=1, (4.12a)<br />
. (4.12b)<br />
For m-th order rate equations, the discretization equations are the same as Eq. (4.10) and<br />
Eq. (4.11) except that Eq. (4.8) and (4.11d) are replaced by:<br />
M 1 = r s<br />
3<br />
m −1<br />
kmCs De 2 [ (i +1) − (i − 1)]<br />
b = −9M1 2<br />
, (4.13)<br />
m<br />
i . (4.14)<br />
As mentioned previously, in Zone II the effectiveness factor is approximately 1/M T.<br />
Therefore as M T gets large, only a small fraction (can be roughly estimated as 1/M T) of the<br />
radial particle layers are accessible to oxygen. To maintain the accuracy of the model, the<br />
number of layers into which the particle is divided must be increased linearly with M T.<br />
However, when the number of layers is too large, the computation is very slow and the<br />
round-off errors may prevent further improvement of accuracy through grid refinement.<br />
The number of layers N in the radial coordinate was chosen to be:<br />
N = max( 150,150 MT ) . (4.15)<br />
Non-uniform gridding was used, where each layer was given the same volume (V p/N), in<br />
order to reduce numerical errors.