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EUROKIN SPREADSHEET FOR ASSESSMENT OF TRANSPORT LIMITATIONS IN GAS-SOLID FIXED BEDS
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This webtool is a spreadsheet for selecting proper
conditions in a gas-solid fixed-bed reactor for intrinsic reaction
kinetics.
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It was developed by the Eurokin consortium
(http://www.eurokin.org) and made accessible to the public for free in 2012.
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It consists of this
spreadsheet and a document with background informationEUROKIN_fixed-bed_html_guide.pdf.
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It requires the physical properties of the
components and calculates the heat- and mass transfer coefficients according
to correlations from literature.
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The obtained values are
substituted into several criteria which indicate if the resistance becomes
limiting.
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The red numbers within brackets refer to the
corresponding section in the background document
'EUROKIN_fixed-bed_html_guide'.
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The blue numbers should be inserted by the user;
the current values correspond to an example on N2O decomposition.
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Disclaimer: This spreadsheet
and its functionality have not been tested exhaustively and represent a
beta-version. The use of the spreadsheet
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is at the user’s own risk. Under no circumstances,
the Eurokin consortium will be liable for any damages (including, without
limitation, conse-
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quential, incidental or special damages, including
lost profits or lost savings), or for illegal acts or actions, arising from
the use of the spreadsheet.
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Also the copyright holders expressly excludes
liability for consequential loss or damage which may arise in respect of this
spreadsheet,
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its use, the system or in respect of other
equipment or property for loss of profit, business revenue, goodwill or
anticipated savings.
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Regardless of whether any remedy fails of its
essential purpose, in no event will the copyright holders be liable for
incidental, indirect,
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special or consequential damages, notwithstanding
being aware of the possibility of such damages.
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Print button:
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Push the print button for printing; this webpage is
printer-friendly on A4 paper (4 pages) when choosing landscape format.
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Reset button:
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Push the reset button to get back all the default
values (the buttons are located at the bottom).
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Input
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Reaction (1)
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Mol. weight
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Diffus. volume
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Feed composition (mol %)
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Name
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[mol-%]
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stoichiometry
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[kg/mol]
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[m3/mol] (15)
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Limiting reactant (= "A")
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(1)
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Second compound
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Third compound
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Dilution (or 4th compound)
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Mixture value :
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Reaction conditions:
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Catalyst temperature
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[K]
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(1)
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Calculated values
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Total pressure
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[kPa]
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Volumetric flow at reaction cond.
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[m3/s]
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Total molar inlet flow
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[mol/s]
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Volumetric flow at STP
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[ml/min]
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Superficial velocity
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[m/s]
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Properties of catalyst
and dilution
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Particle Reynolds number
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Amount of catalyst
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[g]
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Density mixture
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[kg/m3]
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Amount of bed dilution
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[g]
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Molar volume
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[m3/mol]
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Catalyst pellet diameter
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[mm]
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Pr
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[-]
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Bed porosity
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[m3/m3bed]
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(2)
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Sc
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[-]
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Cat. internal specific area
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[m2/g]
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Space time [Wcat/(mol-A/s)]
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[kg/s mol]
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Catalyst pellet porosity
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[m3/m3pellet]
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Weight dilution degree
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[kgdil/(kgcat+kgdil)]
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Catalyst bulk density
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[kg/m3bed]
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Volume dilution degree
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[m3dil/(m3cat+m3dil)]
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Catalyst pellet tortuosity
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[-]
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Bed cross-sectional area
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[mm2]
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Cat. pellet thermal conduct.
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[W/mK]
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Bed height
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[mm]
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Dilution pellet density
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[kg/m3pellet]
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Real residence time in bed
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[s]
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Dil. pellet thermal conductivity
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[W/mK]
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Total catalyst bed volume
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[mm3]
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Catalyst pellet density
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[kg/m3]
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Reactor dimensions:
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Internal reactor diameter
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[mm]
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Average pore radius
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[nm]
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Diameter thermowell
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[mm]
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Catalyst solid density
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[kg/m3]
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Catalyst pore volume
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[ml/g]
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Reaction rate
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Average pellets thermal cond.
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[W/m K]
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Observed reaction rate
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[mol-A/kg-cat.s]
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(1)
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Reaction order A
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[-]
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Observed rate constant
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[mol-A/kg-cat.s.Pa-An]
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Apparent activation energy
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[kJ/mol-A]
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Reaction rate per pellet volume
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[mol-A/mpellet3 s]
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Reaction enthalpy
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[kJ/mol-A]
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Conversion of A
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(3)
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Physical properties of
the components
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General physical properties
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(mixture
values)
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Calculation of Diffusion coefficient
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(15)
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Heat capacity
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[J/mol K]
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[m2/s]
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Viscosity
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[kg/m s]
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[m2/s]
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Thermal conductivity
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[W/m K]
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[m2/s]
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(The user
should adapt these values accordingly)
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[m2/s]
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[m2/s]
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[m2/s]
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[m2/s]
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Results concerning transport limitations and other
disturbing phenomena
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Pressure drop over the catalyst bed
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(4)
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Conditions
for allowing assumption ideal plug flow behaviour
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Friction factor
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Axial dispersion
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(5)
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Pressure drop over the bed
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[Pa]
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Bo (=Pep)
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[-]
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DP/P ratio
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; must be < (0.2/n) =
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Constant in criterion
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hbed /dp (minimum required)
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hbed /dp (experimental)
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Conditions for the maximum bed dilution
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(7)
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Relative deviation (D)
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Maximum allowed b
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[vol-dil/vol-tot]
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Radial dispersion
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(6)
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Experimental b
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Criterion: dt /dp should be at least
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dt /dp
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External mass transport limitation
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(8)
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Sh
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[-]
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Internal diffusion limitation
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(9)
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Mass transfer coefficient (kg)
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[m3/m2s]
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[m2/s]
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av = 6/dp
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[m2/m3-pellet]
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Weisz modulus (F)
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; must be <
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[mol/m3]
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Approximate Thiele modulus (f)
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[-]
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Ca
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; must be < 0.05/n
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tanh (3f)
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[-]
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Efficiency (for n = 1)
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[-]
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Approximated efficiency (h)
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[-]
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Radial heat transfer limitation
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(11)
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Perf
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[-]
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External heat transport limitation
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(10)
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ler,0/lG
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[-]
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Nu
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[-]
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ler,conv/lG
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Note that Nu
may get as low as 0.1 at Re <1 in case of channeling !
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ler
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[W/mK]
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Heat
transfer coefficient ap = hw
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[W/m2 K]
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Pr (air, 80oC)
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| DT(film) |
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[K]; must be <
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aw,0
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[W/m2 K]
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aw,conv
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[W/m2 K]
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aw
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[W/m2 K]
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Temperature gradient within the pellet
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(12)
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| DT(rad)
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[K]; must be <
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The effect of the internal temperature gradient on
the net
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production rate is smaller than 5% if :
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If the temperature of the wall is measured instead
of the tem-
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(11)
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| DT(int) |
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[K]; must be <
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perature at the central bed axis, another criterion applies:
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| DT(rad)
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[K]; must be <
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Biwall
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[-]
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Adiabatic temperature rise
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(DTad)
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(13) (14)
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DT(ad)
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[K]
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