aic14098-sup-0001-suppinfo

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Supplemental Material: Mathematical model (SI system)
Sinter plant
Only the raw materials iron ore, coke and limestone are considered and the internal mass
flow rate of coke to the blast furnace is the difference between the total amount of available
coke (including external coke) and coke needed in sinter plant,
๐‘“๐‘˜ = ๐‘‹๐‘˜ ๐‘“๐‘ ๐‘–๐‘›๐‘ก๐‘’๐‘Ÿ
๐ป๐‘†๐‘ƒ = ๐‘‹๐‘†๐‘ƒ ๐‘“๐‘ ๐‘–๐‘›๐‘ก๐‘’๐‘Ÿ
๐‘†๐‘ƒ
๐ต๐น
๐‘“๐‘๐‘œ๐‘˜๐‘’
= ๐‘“๐‘๐‘œ๐‘˜๐‘’ − ๐‘“๐‘๐‘œ๐‘˜๐‘’
∀ ๐‘˜ ∈ {๐‘œ๐‘Ÿ๐‘’, ๐‘๐‘œ๐‘˜๐‘’, ๐‘™๐‘–๐‘š๐‘’๐‘ ๐‘ก๐‘œ๐‘›๐‘’}
(A-1)
(A-2)
(A-3)
๐‘“ is the mass flow rate (t/h), ๐‘˜ represents iron ore, coke or limestone, ๐‘‹ is an empirical
factor and ๐‘†๐‘ƒ denotes sinter plant.
Table 1 Technical parameters for the sinter plant model
k
ore
coke
limestone
SP
X
0.96
0.046
0.0714
85.12 (MJ/t)
Coke Plant
Linear relations between mass flow rates of feed coal and the mass flow rate of coke and
volume flow rate of coke oven gas used:
๐‘“๐‘๐‘œ๐‘˜๐‘’ = ๐‘‹๐ถ๐‘ƒ ๐‘“๐‘๐‘œ๐‘Ž๐‘™
๐‘‰๐ถ๐‘‚๐บ = ๐‘‹๐ถ๐‘‚๐บ ๐‘“๐‘๐‘œ๐‘˜๐‘’
๐‘˜
๐‘˜
๐‘‰๐ถ๐‘‚๐บ
= ๐‘ฅ๐ถ๐‘‚๐บ
๐‘‰๐ถ๐‘‚๐บ
∀ ๐‘˜ ∈ {๐ถ๐‘‚, ๐ถ๐‘‚2 , ๐ป2 , ๐‘2 , ๐‘‚2 , ๐ถ๐ป4 }
(A-4)
(A-5)
(A-6)
where ๐‘“ represents a mass flow rate (t/h), ๐‘‹ are empirical factors for estimating the
amount of coke and coke oven gas, ๐ถ๐‘ƒ is coke plant, ๐ถ๐‘‚๐บ is coke oven gas, ๐‘‰ is the volume
flow rate (km3 n/h) and ๐‘ฅ stands for the molar composition of coke oven gas for the
different components.
Table 2 Technical parameters for the coke plant model
k
CO
CO2
H2
O2
N2
CH4
x
0.0528
0.0177
0.5807
0.0014
0.0646
0.2828
COG
CP
0.3197
0.6742
Hot Stoves
The volume flow rate of blast and energy needed for the hot stoves is estimated by an
efficiency factor of 0.6885. The heat is assumed to be generated by using internal fuel (off
gases) and/or external oil supply.
๐ต๐น
๐‘‰ = ๐‘‰๐‘๐‘™๐‘Ž๐‘ ๐‘ก
๐‘œ๐‘ข๐‘ก
๐‘–๐‘›
โˆ†๐ป๐ป๐‘† = ๐œ‚๐ป๐‘† (๐ป๐ป๐‘†
− ๐ป๐ป๐‘†
)
๐ต๐น
๐‘‰๐‘‚2 = ๐‘‰๐‘๐‘™๐‘Ž๐‘ ๐‘ก
๐‘’๐‘›๐‘Ÿ๐‘–๐‘โ„Ž๐‘š๐‘’๐‘›๐‘ก
(A-7)
(A-8)
(A-9)
where ๐ต๐น is the blast furnace, ๐ป๐‘† is hot stoves, โˆ†๐ป is the difference between the
enthalpies, ๐ป is the enthalpy (of input and output streams) and ๐œ‚ stands for the hot stove
efficiency factor.
Basic oxygen furnace
The production of liquid steel is taken to be proportional to the amount of hot metal and
scrap. We assumed 50% recovery of BOF off gases with fixed composition of CO and CO2 of
0.9 and 0.1, respectively.
๐ต๐น
๐‘“๐‘™๐‘  = (1.1453). ๐‘“๐ป๐‘€
๐ต๐‘‚๐น
๐ต๐น
๐‘‰๐ต๐‘‚๐น๐บ
= (0.0415). ๐‘“๐ป๐‘€
๐ต๐น
๐‘‰๐‘‚๐ต๐‘‚๐น
= (0.4562) . ๐‘“๐ป๐‘€
2
๐ต๐‘‚๐น
๐ต๐น
๐‘“๐‘†๐‘๐‘Ÿ๐‘Ž๐‘
= (0.25). ๐‘“๐ป๐‘€
๐ต๐‘‚๐น
๐ต๐น
๐‘“๐‘™๐‘–๐‘š๐‘’๐‘ ๐‘ก๐‘œ๐‘›๐‘’
= (0.06657). ๐‘“๐ป๐‘€
(A-10)
(A-11)
(A-12)
(A-13)
(A-14)
where ๐‘“ is mass flow rate (t/h), ๐‘™๐‘  is liquid steel, ๐ป๐‘€ is hot metal, ๐ต๐‘‚๐น is basic oxygen
furnace, ๐ต๐‘‚๐น๐บ is basic oxygen furnace off gases.
Power Plant
The power plant is modeled in a way which produces utility requirements for the whole
plant and external electricity and district heat based on demand or price as byproduct. The
internal fuels (off gases) and oil is used as feedstock. The technical data is presented below:
Table 3 Data for power plant model
Efficiency
Turbine
[Steam, 75 bar ๏ƒ  5 bar]
Production of District Heat
[Heat Exchanger, Tout=60 ’C]
Production of electricity
[Generator]
η
0.79
0.9
0.95
Blast Furnace
The general model for the blast furnace is described in the Appendix of ref. 8. For the sake of
simplicity a surrogate model based on PLS and Kriging has been used in the present study
BF
๐‘๐‘š
= ๐ด1,๐‘š + ∑ ๐ด2,๐‘š,๐‘› ๐‘‹๐‘›BF
49
(A-15)
๐‘›
BF
2 )
๐‘ฬ‚๐‘š
= ๐œ‡๐‘š + ∏ ๐›พ๐‘ ๐‘— exp(−๐œƒ๐‘š๐‘› ๐‘‘๐‘›๐‘ 
(A-16)
๐‘ =1
2
๐‘‘๐‘›๐‘ 
= (๐‘‹๐‘›BF − ๐‘ค๐‘ ๐‘› )
(A-17)
where ๐ด1,๐‘š and ๐ด2,๐‘š are regression coefficients, ๐‘‹๐‘›BF (n = 1,..,5) stands for the hot metal
production (t/h), specific oil rate, pellet rate (kg/t hm ), blast oxygen content (%), or blast
temperature (๏‚ฐC) that are the five inputs to the blast furnace model. The fifteen outputs
BF
๐‘ฬ‚๐‘š
(๐‘š = 1, … ,15) in the surrogate model are the specific coke rate (kg/t hm ), volume flow
rate of top gases (km3 n/h), composition of top gases (H2 , N2 , CO2 , CO), top gas
temperature (๏‚ฐC), sinter rate (kg/t hm ), blast volume flow rate (m3 n/h), (raceway) flame
temperature (๏‚ฐC), burden residence time (h), bosh gas volume (km3 n/h), limestone rate
(kg/t hm ), quartzite rate (kg/t hm ) and slag rate (kg/t hm ), ๐œ‡๐‘š is the generalized least
2
squares estimate for the polynomial term, ๐œƒ๐‘š๐‘› is the correlation function parameters, ๐‘‘๐‘›๐‘ 
=
BF
(๐‘‹๐‘› − ๐‘ค๐‘ ๐‘› ) are the differences between a point and the design sites ๐‘ค๐‘ ๐‘› , and ๐‘  is the
number of random points that have been generated by the Latin hypercube method. The
Kriging method has been used to estimate the last three terms based on s = 49 random input
points.
Table 4 Regression coefficients after scaling of the blast furnace-PLS model
Coke rate
Top
Gas
Volume
CO
Composition
O2
Composition
H2
Composition
N2
Composition
Top
Gas
Temp.
Sinter Rate
O2 Volume
flow rate
Blast Volume
Rate
Flame
Temperature
Residence
time
Basicity
Slag
flow
Rate
Bosh
Gas
Volume
Hot Metal
Oil Rate
-0.005014
1.4760350
-1.025237
0.1237624
-0.0000019
Pellet Rate
Blast
Temperature
-0.10781
-0.06647
A1
-0.009983
-0.004576
O2
Enrichment
-0.278994
-5.187665
-0.000173
-0.00001
0.005796
-0.00000407
0.1058
0.0000009
-0.000182
0.000018
0.0054725
0.00003593
0.0578
0.0000033
0.0004412
-0.00000088
0.0013414
0.00001247
-0.0349
-0.0000023
-0.000085
-0.00000716
-0.0126100
-0.00004434
0.8712
0.0175255
1.095010
-0.02639143
-16.06648
-0.16139
657.704
0.0001598
76.819234
-0.000373
7.218492
-1.080164
-0.529055
0.002875
1267.9047
0.00001888
-4.832905
1572.14
30928.3
957.52657
54.53718
-5.095824
-5167.110
-56.48740
192363.2
-0.0193695
-3.326163
-0.016224
36.97700
0.624802
890.11
-0.0493425
0.012907
0.000237
0.004898
0.001405
11.162
0.0000080
-0.0224216
0.0006239
-0.021151
0.00004875
-0.117201
0.000327
-0.415930
-0.00001126
-0.0128152
0.9652
306.777
1354.9086
234.06044
-6.650835
-5182.449
-73.412888
191684.33
581.644
195.454
Membrane Process
The operational pressure and molar flow rate (๐ค๐ฆ๐จ๐ฅ/๐ก) of the membrane process is
estimated by
๐‘™๐‘œ๐‘ค
๐‘ƒ๐‘€๐ธ๐‘€
โ„Ž๐‘–๐‘”โ„Ž
๐‘ƒ๐‘€๐ธ๐‘€
๐น
=(
๐‘ฆ๐ป2๐‘€๐ธ๐‘€
๐‘
๐‘ฆ๐ป2๐‘€๐ธ๐‘€
๐‘
)(
๐น
1 − ๐œ๐ป๐‘€๐ธ๐‘€
2
๐น
1 − ๐‘ฆ๐ป2๐‘€๐ธ๐‘€ ๐œ๐ป๐‘€๐ธ๐‘€
2
)
(A-18)
๐‘“๐ป2๐‘€๐ธ๐‘€ = ๐œ๐ป๐‘€๐ธ๐‘€
๐‘“๐ป2๐‘€๐ธ๐‘€
2
(A-19)
๐‘
๐‘“๐‘˜ ๐‘€๐ธ๐‘€
๐น
๐น
๐›ผ{๐‘˜⁄๐ป2 } ๐œ๐ป๐‘€๐ธ๐‘€
๐‘ฆ๐‘˜ ๐‘€๐ธ๐‘€ ๐‘“๐ป2๐‘€๐ธ๐‘€
2
=
๐น
๐‘ฆ๐ป2๐‘€๐ธ๐‘€
๐‘๐‘๐‘€๐ธ๐‘€
๐‘“๐ป2
[2 −
๐œ๐ป๐‘€๐ธ๐‘€
2
(A-20)
๐‘
๐‘™๐‘œ๐‘ค
๐‘ฆ๐ป2๐‘€๐ธ๐‘€ ๐‘ƒ๐‘€๐ธ๐‘€
−
]
−
2
[
] (1 − ๐›ผ{๐‘˜⁄๐ป2 } )
๐น
โ„Ž๐‘–๐‘”โ„Ž
1 − ๐‘ฆ๐ป2๐‘€๐ธ๐‘€ ๐œ๐ป๐‘€๐ธ๐‘€
๐‘ƒ
๐‘€๐ธ๐‘€
2
๐›ผ(๐‘˜⁄๐ป2 ) ๐œ๐ป๐‘€๐ธ๐‘€
2
๐น
= (1 − ๐œ๐ป๐‘€๐ธ๐‘€
)๐‘“๐ป2๐‘€๐ธ๐‘€
2
(A-21)
๐‘๐‘๐‘€๐ธ๐‘€
๐‘“๐‘˜
๐น
๐‘
= ๐‘“๐‘˜ ๐‘€๐ธ๐‘€ − ๐‘“๐‘˜ ๐‘€๐ธ๐‘€
(A-22)
โ„Ž๐‘–๐‘”โ„Ž
๐‘ƒ๐‘€๐ธ๐‘€
๐น
๐‘
where
and
are the product and feed stream pressures, ๐‘ฆ๐ป2๐‘€๐ธ๐‘€ and ๐‘ฆ๐ป2๐‘€๐ธ๐‘€ are
the mole fraction of hydrogen in feed and in the product streams and ๐œ๐ป๐‘€๐ธ๐‘€
is membrane
2
๐‘๐‘€๐ธ๐‘€
hydrogen product recovery, ๐‘“๐ป2
is the molar flow rate of hydrogen in the product stream,
๐‘๐‘€๐ธ๐‘€
๐‘๐‘
๐‘“๐‘˜
is the molar flow rate of other components available in the product stream, ๐‘“๐ป2 ๐‘€๐ธ๐‘€ is
๐‘๐‘
the molar flow rate of hydrogen in the byproduct, ๐‘“๐‘˜ ๐‘€๐ธ๐‘€ is the molar flow rate of other
๐‘™๐‘œ๐‘ค
๐‘ƒ๐‘€๐ธ๐‘€
components in the byproduct stream and ๐›ผ{๐‘˜⁄๐ป2 } is the ratio of permeability coefficient of
other components available in the stream to hydrogen.
Table 5 Permeability coefficient for components in stream
Component
CO
CH4
CO2
H2
O2
N2
Permeability
2.4
2.3
38
55
8.3
1.4
Pressure Swing Adsorption Process
The operational pressure and molar flow rate (kmol/h) are expressed as
๐‘™๐‘œ๐‘ค
๐‘ƒ๐‘ƒ๐‘†๐ด
โ„Ž๐‘–๐‘”โ„Ž
๐‘ƒ๐‘ƒ๐‘†๐ด
๐น
= ๐‘ฆ๐ป2๐‘ƒ๐‘†๐ด (1 −
๐‘
๐‘…๐‘ƒ๐‘†๐ด
)
1 − ๐›ฝ๐‘ƒ๐‘†๐ด
(A-23)
๐น
๐‘“๐ป2๐‘ƒ๐‘†๐ด = ๐‘…๐‘ƒ๐‘†๐ด ๐‘“๐ป2๐‘ƒ๐‘†๐ด
๐‘๐‘๐‘ƒ๐‘†๐ด
๐‘“๐ป2
๐‘๐‘๐‘ƒ๐‘†๐ด
๐‘“๐‘˜
๐น
(A-24)
๐‘
= ๐‘“๐ป2๐‘ƒ๐‘†๐ด − ๐‘“๐ป2๐‘ƒ๐‘†๐ด
(A-25)
๐น
= ๐‘“๐‘˜ ๐‘ƒ๐‘†๐ด
(A-26)
โ„Ž๐‘–๐‘”โ„Ž
๐‘™๐‘œ๐‘ค
where ๐‘ƒ๐‘ƒ๐‘†๐ด
and ๐‘ƒ๐‘ƒ๐‘†๐ด are the low and high absolute pressure of the pressure swing cycle,
๐น๐‘ƒ๐‘†๐ด
๐‘ฆ๐ป2 is the mole fraction of the hydrogen in the feed, ๐‘…๐‘ƒ๐‘†๐ด is the product recovery and βPSA
๐‘
๐น
is the adsorbent selectivity value, ๐‘“๐ป2๐‘ƒ๐‘†๐ด is the molar flow rate of the product stream, ๐‘“๐ป2๐‘ƒ๐‘†๐ด
๐‘๐‘๐‘ƒ๐‘†๐ด
is the molar flow rate of hydrogen in the feed stream, ๐‘“๐ป2
๐‘๐‘
๐‘“๐‘˜ ๐‘ƒ๐‘†๐ด
is the molar flow rate of
hydrogen in the byproduct stream and
is the molar flow rate of other components in
the byproduct stream. In practice the value of the hydrogen recovery is less than 0.92 and
for the adsorbent selectivity would be greater than 0.02.
Reactors
The molar flow rates for the gas reforming units are calculated by (linear) mass balances for
fixed conversion reactor with NR parallel reactions for each component, ๐‘˜, and can be
expressed as
๐‘๐‘…
๐‘“๐‘๐‘˜
=
๐‘“๐น๐‘˜
+ ∑ ๐›พ๐‘Ÿ๐‘˜ ๐‘ฅ๐‘Ÿ ๐‘“๐น๐‘™(๐‘Ÿ)
(A-27)
๐‘Ÿ=1
where ๐‘Ÿ is the number of reaction, ๐‘™(๐‘Ÿ) is the limiting component, ๐›พ๐‘Ÿ๐‘˜ is the stoichiometric
coefficients which is positive, negative and zero for product, reactant and inert components
and ๐‘ฅ๐‘Ÿ is the fraction converted per pass based on limiting reactant.
Table 6 operation condition for different gasification process
Reactor
SMR
CDR
POR
LPMEOH
GPMEOH
Operational condition
CH4/H2O=3.681, P=20 bar, T=1153-1300 K
๐‘†๐‘€๐‘…
๐‘†๐‘€๐‘…
๐‘ฅ๐ถ๐ป
= 81.46, ๐‘ฅ๐ถ๐‘‚
= 40.2
4
CH4/CO2=1, P=1 bar, T=1143-1313 K
๐’™๐‘ช๐‘ซ๐‘น
๐‘ช๐‘ฏ๐Ÿ’ = ๐ŸŽ. ๐Ÿ—๐ŸŽ
CH4/O2=2, P=1 bar, T=1073-1473 K
๐’™๐‘ท๐‘ถ๐‘น
๐‘ช๐‘ฏ๐Ÿ’ = ๐ŸŽ. ๐Ÿ—๐Ÿ“
H2/CO≥2, P=50 bar, T=523 K
๐’™๐‘ณ๐‘ท๐‘ด๐‘ฌ๐‘ถ๐‘ฏ
= ๐Ÿ–. ๐Ÿ—, ๐’™๐‘ณ๐‘ท๐‘ด๐‘ฌ๐‘ถ๐‘ฏ
= ๐Ÿ‘๐ŸŽ. ๐Ÿ”
๐‘ช๐‘ถ๐Ÿ
๐‘ช๐‘ถ
H2/CO≥2, P=50 bar, T=533 K
๐’™๐‘ฎ๐‘ท๐‘ด๐‘ฌ๐‘ถ๐‘ฏ
= ๐Ÿ—๐Ÿ“, ๐’™๐‘ฎ๐‘ท๐‘ด๐‘ฌ๐‘ถ๐‘ฏ
= ๐Ÿ—๐Ÿ“
๐‘ช๐‘ถ๐Ÿ
๐‘ช๐‘ถ
Compressors
The reference case of the compressor is assumed to operate isentropically, and the true
operation is estimated with adiabatic, motor drive and mechanical efficiencies of ๐œ‚๐‘Ž๐‘‘ = 0.9,
๐œ‚๐‘š๐‘‘ = 0.9 and ๐œ‚๐‘š๐‘’๐‘โ„Ž = 0.85, respectively,
๐‘‡๐‘œ๐‘ข๐‘ก
๐‘ƒ๐‘œ๐‘ข๐‘ก (๐›พฬ…−1)⁄๐›พฬ…
=(
)
๐‘‡๐‘–๐‘›
๐‘ƒ๐‘–๐‘›
∑๐‘˜ ๐‘“๐‘˜ (๐ป๐‘œ๐‘ข๐‘ก,๐‘˜ − ๐ป๐‘–๐‘›,๐‘˜ )
๐‘Š๐‘๐‘œ๐‘š๐‘ =
๐œ‚๐‘Ž๐‘‘ ๐œ‚๐‘š๐‘‘ ๐œ‚๐‘š๐‘’๐‘โ„Ž
๐‘“๐‘–๐‘›,๐‘๐‘œ๐‘š๐‘ = ๐‘“๐‘œ๐‘ข๐‘ก,๐‘๐‘œ๐‘š๐‘
(A-28)
(A-29)
(A-30)
where ๐‘‡out and ๐‘‡in are the outlet and inlet absolute temperatures, ๐‘ƒout and ๐‘ƒin are the
outlet and inlet pressures, ๐›พฬ… is the average of specific heat ratio of the components in
question and ๐‘Š๐‘๐‘œ๐‘š๐‘ is the compressor work.
Separation columns
For distillation columns the composition of component in product is specified. The
operational condition is presented in Table 7. The energy balance is expressed as
๐›ฅ๐ป๐‘Ÿ๐‘’๐‘. = ๐›ฅ๐ป๐‘๐‘œ๐‘›๐‘‘. + ๐›ฅ๐ป๐‘ ๐‘’๐‘›๐‘ ๐‘–๐‘๐‘™๐‘’
(A-31)
๐›ฅ๐ป๐‘๐‘œ๐‘›๐‘‘. = ∑๐‘˜=๐‘๐‘œ๐‘š๐‘๐‘œ๐‘›๐‘’๐‘›๐‘ก๐‘  ๐‘–๐‘›(๐‘…ฬ… + 1) ๐‘“๐‘˜ ๐ป๐‘˜๐‘‰
(A-32)
๐‘‘๐‘–๐‘ ๐‘ก๐‘–๐‘™๐‘™๐‘Ž๐‘ก๐‘’ ๐‘ ๐‘ก๐‘Ÿ๐‘’๐‘Ž๐‘š
๐›ฅ๐ป๐‘ ๐‘’๐‘›๐‘ ๐‘–๐‘๐‘™๐‘’ =
∑
๐‘“๐‘˜ ๐ถ๐‘ƒ๐‘˜ ๐›ฅ๐‘‡๐‘ ๐‘’๐‘›๐‘ ๐‘–๐‘๐‘™๐‘’
(A-33)
๐‘˜=๐‘๐‘œ๐‘š๐‘๐‘œ๐‘›๐‘’๐‘›๐‘ก๐‘  ๐‘–๐‘›
๐‘‘๐‘–๐‘ ๐‘ก๐‘–๐‘™๐‘™๐‘Ž๐‘ก๐‘’ ๐‘ ๐‘ก๐‘Ÿ๐‘’๐‘Ž๐‘š
๐‘˜
๐‘˜
๐‘“๐‘๐‘Ÿ๐‘œ๐‘‘๐‘ข๐‘๐‘ก
= ๐œ ๐‘˜ ๐‘“๐‘“๐‘’๐‘’๐‘‘
๐‘˜
๐‘˜
๐‘“๐‘๐‘œ๐‘ก๐‘ก๐‘œ๐‘š
= (1 − ๐œ ๐‘˜ )๐‘“๐‘“๐‘’๐‘’๐‘‘
(A-34)
(A-35)
where Δ๐ป๐‘๐‘œ๐‘›๐‘‘. is the enthalpy change to condense the distillate product (kJ/mol), ๐‘…ฬ… is the
reflux ratio, ๐ป๐‘˜๐‘‰ is the heat of vaporization at given temperature (kJ/mol), ๐ถ๐‘ƒฬ… ๐‘˜ is the specific
heat capacity of the distillate component (kJ/(mol · K)), Δ๐‘‡๐‘ ๐‘’๐‘›๐‘ ๐‘–๐‘๐‘™๐‘’ is difference of boiling
point of distillate product and feed temperature (K) and ๐œ is the split fraction of component
in each stream.
Table 7 Operational condition for each separation column
Separation Column
MEOH
DME
GSP
WSP
TSA
COPure
Operational condition
P=3.4 bar, T=318 K
๐œ ๐‘š๐‘’๐‘กโ„Ž๐‘Ž๐‘›๐‘œ๐‘™ = 99.9, R=1.5
P=11.2 bar, T=318 K
๐œ ๐‘š๐‘’๐‘กโ„Ž๐‘Ž๐‘›๐‘œ๐‘™ = 1, R=20
P=11.2 bar, T=318 K
๐œ๐‘”๐‘Ž๐‘ ๐‘’๐‘  = 1
P=20 bar, T=383 K
๐œป๐’˜๐’‚๐’•๐’†๐’“ = ๐Ÿ
P=1 bar,T=273-573K
๐œ ๐ถ๐‘‚ = 0.99
Low P,T
๐œ ๐ถ๐‘‚ = 0.98
Mixer and Splitter units
For mixers and splitter units, linear mass balance is considered for input(s) and output(s)
๐‘˜
๐‘˜
๐‘“๐‘š๐‘–๐‘ฅ๐‘’๐‘Ÿ
= ∑ ๐‘“๐‘–๐‘›,๐œ„
๐œ„
(A-36)
๐‘˜
๐‘“๐‘ ๐‘๐‘™๐‘–๐‘ก๐‘ก๐‘’๐‘Ÿ,๐œ„
= ๐œ๐œ„ ๐‘“๐‘–๐‘›๐‘˜
(A-37)
where ๐œ„ is the number of streams, k is the components and ๐œ is the specified fraction for
each output stream.
Enthalpy analysis
For all considered units in polygeneration system and carbon capturing and sequestration,
the difference between input and output enthalpies is calculated by
๐‘‡2
๐‘‡3
๐‘‡4
๐ต5๐‘˜
(A-38)
๐ป๐‘˜ − ๐ป๐‘˜,298 = ๐ต1๐‘˜ ๐‘‡ + ๐ต2๐‘˜ ( ) + ๐ต3๐‘˜ ( ) + ๐ต4๐‘˜ ( ) − (
)
2
3
4
๐‘‡
+ ๐ต6๐‘˜ − ๐ต7๐‘˜
where ๐‘‡ is temperature in 10−3 K, ๐ป๐‘˜ is the standard enthalpy in kJ/mol, and ๐ต๐‘˜ are the
parameters obtained from NIST Chemistry Web book. The energy efficiency of heat
exchangers is assumed to be 0.7.
Table 8 Coefficients in enthalpy estimation
k
CO
CO2
H2
O2
O2
N2
N2
CH4
H2O
B1
25.56
24.99
33.066
31.32
30.032
28.98
19.505
-0.703
30.092
B2
6.096
55.19
-11.363
-20.23
8.77
1.854
19.887
108.477
6.8323
B3
4.05
-33.69
11.43
57.86
-3.988
-9.647
-8.598
-42.521
6.7934
B4
-2.67
7.95
-2.77
-36.50
0.788
16.635
1.369
5.862
-2.5344
B5
0.131
-0.14
-0.158
-0.0073
-0.741
0.00012
0.527
0.678
0.0843
B6
-118.00
-403.61
-9.98
-8.903
-11.324
-8.672
-4.935
-76.843
-250.88
B7
-110.52
-393.52
0
0
0
0
0
-74.873
-241.82
T
298-1200
298-1200
298-1000
100-700
700-2000
100-500
500-2000
298-1300
500-1700
Objective Function
The net present value (NPV) of the project is estimated by
๐‘๐‘ƒ๐‘‰ = − (1 −
๐ถ๐ผ = ๐ถ๐ผ ๐‘๐‘Ž๐‘ ๐‘–๐‘ (
๐œ† 1
1
1
1
โˆ™ โˆ™ (1 −
)) ๐ถ๐ผ + โˆ™ (1 −
) ๐‘๐‘ƒ
๐œƒ
๐‘‘๐‘
๐œƒ๐‘‘๐‘ ๐›ฟ
๐›ฟ
(1 + ๐›ฟ)
(1 + ๐›ฟ)๐œƒ๐‘™๐‘
๐‘“
๐‘“ ๐‘๐‘Ž๐‘ ๐‘–๐‘
)
๐‘๐‘ƒ = ๐ถ๐‘œ๐‘ ๐‘ก๐‘“๐‘’๐‘’๐‘‘๐‘ ๐‘ก๐‘œ๐‘๐‘˜ − ๐‘ƒ๐‘Ÿ๐‘–๐‘๐‘’๐‘๐‘Ÿ๐‘œ๐‘‘๐‘ข๐‘๐‘ก๐‘  + ๐ถ๐‘œ๐‘ ๐‘ก๐‘’๐‘š๐‘–๐‘ ๐‘ ๐‘–๐‘œ๐‘› ๐‘Ž๐‘›๐‘‘ ๐‘ ๐‘’๐‘ž๐‘ข๐‘’๐‘ ๐‘ก๐‘Ÿ๐‘Ž๐‘ก๐‘–๐‘œ๐‘›
(A-39)
(A-40)
(A-41)
where ๐ถ๐ผ is the total Capital Investment cost of equipment for gasification, carbon capturing
and sequestration and methanol units, which are expressed by a linear approximation with
fixed cost charge of the Guthrie’s Modular Method with cost update factor for 2010, and NP
is the annual Net Profit of the integrated system, ๐œ† = 40% is tax rate, ๐œƒ๐‘‘๐‘ = 30 and ๐œƒ๐‘™๐‘ =
10 years life and depreciation time of project and ๐›ฟ = 12% is the annual discount rate.
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