Вы находитесь на странице: 1из 26

Development and Validation of a

Volatile Break-Up Approach for


Gasification Simulations

Pravin Nakod*, Stefano Orsino, Ajey Walavalkar, Muhammad Sami


ANSYS Inc.
38th International Technical Conference on Clean Coal and Fuel Systems
June 2-6, 2013
1 © 2011 ANSYS, Inc.
*Presenting Author: pravin.nakod@ansys.com
August 6, 2013
Outline

• Introduction
• Volatile Break-Up Approach
• Gasification Chemistry
• Validation Case-1
• Validation Case-2
• Summary

2 © 2011 ANSYS, Inc. August 6, 2013


Solid Fuel

• Industrially employed solid carbonaceous fuels


– Complex collections of organic polymers
– Coal, Biomass, Petcoke, Waste, etc…
• Solid gasification/combustion
Water vapor
Drying
Moisture
Devolatilization/ Pyrolysis
Ash Volatiles
Residuals
H2, CH4, CO, CO2, H2O, Tar...
Char
Gasification/Combustion
3 © 2011 ANSYS, Inc. August 6, 2013
Gasification

• Partial oxidization of combustible matter


– Operates in an oxygen-lean environment
– Amount of oxygen used is far less than that in combustion
• Combustible materials used
– Coal, petroleum coke, biomass, heavy oil, natural gas, etc.
• Product of gasification: Synthesis gas or Syngas
– Composed primarily of carbon monoxide, hydrogen and
methane
• Types of gasifiers
– Moving bed, Fluidized bed and Entrained flow

4 © 2011 ANSYS, Inc. August 6, 2013


Role of Simulation in Gasifiers
On thermal and chemical conversion of the
Insight coal as it travels through the gasifier and
effect of hydrodynamics on the process
Understand the effect of operating
parameters (Pressure, temperature, flow
Syngas Quality
rates, mixing, coal quality, etc.) on syngas
quality
Provide feedback on the design of a
Improved Design commercial-scale gasifier to further improve
the design

Reduce the cost and time required for


Cost and Time overall gasifier development

5 © 2011 ANSYS, Inc. August 6, 2013


Gasification Simulation Challenges
How to convert known element
Volatile Break-Up fractions to species fractions
conserving mass as well as enthalpy?

Which reactions to include and how to


Reactions
get reaction rate data?

Stability and
How to get stable converging solution?
Convergence

Validation Are the simulation results correct?

6 © 2011 ANSYS, Inc. August 6, 2013


Volatile Break-Up
• Known inputs for fuel
– Proximate analysis
– Ultimate analysis
• Volatile represented by elements
– C, H, O, N, S
• Need to transform elements to species
– Called volatile break-up Release of volatiles in gaseous species
– Mass balance equations
𝑪 = 𝑪𝑪𝑶 + 𝑪𝑪𝑯𝟒
𝑯 = 𝑯𝑯𝟐𝑺 + 𝑯𝑪𝑯𝟒 + 𝑯𝑯𝟐𝑶 + 𝑯𝑯𝟐
𝑶 = 𝑶𝑪𝑶 + 𝑶𝑯𝟐 𝑶 + 𝑶𝑶𝟐
𝑵 = 𝑵𝑵 𝟐
𝑺 = 𝑺𝑯𝟐 𝑺
• Known  5 (C, H, O, N, S)
• Unknown  7 (CO, CH4, H2S, H2O, H2, O2, N2)
7 © 2011 ANSYS, Inc. August 6, 2013
Volatile Break-Up (cont.…)
• Some facts
– More the species and elements considered, more the complexity
– Coefficients of these simultaneous equations can NOT be negative
• Objective
– To provide simpler approach to evaluate these coefficients and validate
• Approach
– Two assumptions required to close above equations are made suitably
– Volatile break-up is modeled using a volumetric reaction
• Volatile a CO + b CH4 + c H2S + d H2 + e N2 + f H2O + g O2 + h Tar
– Coefficients needs to be calculated such that the mass of each element is
conserved
– Tar is used to account for leftover carbon
• Standard state enthalpy of volatile is calculated
– Ensuring overall heating value of fuel is conserved
8 © 2011 ANSYS, Inc. August 6, 2013
Volatile Break-Up Algorithm
Assume 90% O to form CO; All S to form H2S; Calculate CO and H2S formed
𝑪𝒍𝒆𝒇𝒕 = 𝑪 − 𝑪𝒊𝒏−𝑪𝑶 and 𝑯𝒍𝒆𝒇𝒕 = 𝑯 − 𝑯𝒊𝒏−𝑯𝟐 𝑺

𝑪𝒍𝒆𝒇𝒕 > 𝟎 𝑪𝒍𝒆𝒇𝒕 < 𝟎

Assume 90% 𝑯𝒍𝒆𝒇𝒕 to form CH4 CO based on C


𝑪𝒍𝒆𝒇𝒕−𝟏 = 𝑪𝒍𝒆𝒇𝒕 − 𝑪𝒊𝒏−𝑪𝑯𝟒 𝑪𝒍𝒆𝒇𝒕−𝟏 < 𝟎 CH4 = 0.0

CH4 based on Cleft


𝑪𝒍𝒆𝒇𝒕−𝟏 > 𝟎
Remaining O to form H2O
Remaining O to form H2O 𝑯𝒍𝒆𝒇𝒕−𝟏 = 𝑯𝒍𝒆𝒇𝒕 − 𝑯𝒊𝒏−𝑪𝑯𝟒 − 𝑯𝒊𝒏−𝑯𝟐 𝑶
𝑯𝒍𝒆𝒇𝒕−𝟏 = 𝑯𝒍𝒆𝒇𝒕 − 𝑯𝒊𝒏−𝑪𝑯𝟒 − 𝑯𝒊𝒏−𝑯𝟐 𝑶
𝑯𝒍𝒆𝒇𝒕−𝟏 > 𝟎 𝑯𝒍𝒆𝒇𝒕−𝟏 < 𝟎
𝑯𝒍𝒆𝒇𝒕−𝟏 > 𝟎 𝑯𝒍𝒆𝒇𝒕−𝟏 < 𝟎 𝑯𝟐 = 𝑯𝒍𝒆𝒇𝒕−𝟏 𝑯𝒍𝒆𝒇𝒕−𝟐 = 𝑯𝒍𝒆𝒇𝒕 − 𝑯𝒊𝒏−𝑪𝑯𝟒
𝑯𝟐 = 𝑯𝒍𝒆𝒇𝒕−𝟏 𝑻𝒂𝒓 = 𝟎. 𝟎 H2O based on Hleft-2
𝑯𝒍𝒆𝒇𝒕−𝟐 = 𝑯𝒍𝒆𝒇𝒕 − 𝑯𝒊𝒏−𝑪𝑯𝟒
𝑻𝒂𝒓 = 𝑪𝒍𝒆𝒇𝒕−𝟏 𝑵𝟐 = 𝑵 H2 = 0.0; N2 = N and O2 = O
H2O based on Hleft-2
𝑵𝟐 = 𝑵 H2 = 0.0; N2 = N
Cleft-1 to form additional CO; O2 = Oleft-1
or
9 © 2011 ANSYS, Inc. Oleft August
to form additional CO; Tar = Cleft-2
6, 2013
Gasification Chemistry H2O

CO2 + H2O + NH3 + CL2 Drying


H2S + O2 + CO + CH4 + H2 Devolatilization
Moisture
+ Tar

O2 Volatile Ash
Matter
Tar-cracking CO2 + H2O
CH4
O2 Fixed Carbon (C)
H2
CO2 + H2O + CO + CH4 + H2 O2

CO2 + CO CO2 CO
Water-gas shift H2O
CO + H2O  CO2 + H2 H2 + CO

Steam-methane reforming Gasification reactions


CH4 + H2O  CO + 3H2
Gas phase reactions Syamlal & Bissett (1992), Wen et. al. (1981),
Peters (1979), Westbrook & Dryer (1981)
10 © 2011 ANSYS, Inc. August 6, 2013
Test 1: 2550 TPD Wabash River Coal Gasifier
• Two stage, up flow, prototype entrained flow gasifier
• Operating pressure  2.84 MPa
Proximate Analysis Ultimate Analysis (DAF)
Volatiles 30.84 % Carbon 79.22 %
Fixed Carbon 42.85 % Hydrogen 5.55 %
Post processing Ash 11.23 % Oxygen 9.7 %
surface
Moisture 15.28 % Nitrogen 1.65 %
HHV, J/kg (As received) 2.476e+07 Sulfur 3.38 %

Coal, water and oxygen inlets


Oxygen + Nitrogen  2 X 11.44 kg/s, 440K
Oxygen mass fraction  0.944
Fuel (Combustible Discrete Phase) 2 X 10.93 kg/s, 450K
Water (Evaporating Discrete Phase) 2 X 4.53 kg/s, 450K

Coal, water inlet


Fuel (Combustible Discrete Phase)  6.17 kg/s, 450K
Water (Evaporating Discrete Phase) 2.56 kg/s, 450K

Outlet  Pressure outlet


11 © 2011 ANSYS, Inc. August 6, 2013
Geometry and Mesh

12 © 2011 ANSYS, Inc. August 6, 2013


Models
• Turbulence : Standard k-ɛ model
• Gas Phase: Eulerian
• Solid phase: Lagrangian
– Moisture vaporization
• Convection/Diffusion Controlled Model
– Coal Devolatization
• Two-competing rates model
– Char oxidation and gasification reactions
• Multiple particle surface reaction model
• Radiation: Discrete Ordinate
• Reaction: Eddy dissipation/finite rate model
– 9 gas phase reactions
– 4 particle surface reactions

13 © 2011 ANSYS, Inc. August 6, 2013


Reaction Rate Data: Gas Phase
Reaction A Ea N1 N2 N3 Reference
(J/kmol)
Vol CO + CH4 + H2S + H2 + N2 + H2O + O2 + Tar 2.119e+11 2.027e+08 1.5 - - Westbrook and Dryer,
Methane comb (1981)
CO oxidation reaction: 2.239e+12 1.7e+08 1 0.25 0.5 Westbrook and Dryer
CO + 0.5 O2 CO2 (H2O) (1981)
Forward water-gas shift reaction (FWGS): 2.35e+10 2.88e+08 0.5 1 - Bustamante et al. (2005)
CO + H2O  CO2 + H2 (At high pressure)
Reverse water-gas shift reaction (RWGS): 1.785e+12 3.260e+08 1 0.5 - Equilibrium with FWGS
CO2 + H2  CO + H2O
Hydrogen oxidation: 9.87e+08 3.1e+07 1 1 - ANSYS FLUENT 14.5
H2 + 0.5 O2  H2O
Reverse of hydrogen oxidation: 2.06e+11 2.728e+08 1 - - Equilibrium with
H2O H2 + 0.5 O2 Hydrogen oxidation
Methane oxidation: 5.012e+11 2e+08 0.7 0.8 - Westbrook and Dryer
CH4 + 1.5 O2  CO + H2O (1981)
Steam methane reforming: 5.922e+08 2.09e+08 0.5 1 - Hou and Hughes (2001)
CH4 + H2O  CO + 3 H2
Tar oxidation reaction: 1e+15 1e+08 1 0.5 - Estimated
Tar + O2  CO

14 © 2011 ANSYS, Inc. August 6, 2013


Reaction Rate Data: Particle Surface

Reaction A Ea N1 Reference
(J/kmol)
Char combustion: 300 1.3e+08 0.65 Wu et al. (2010)
C<S> + 0.5 O2  CO (O2)
CO2 gasification: 2224 2.2e+08 0.6 Wu et al. (2010)
C<S> + CO2  2 CO (CO2)
H2O gasification: 42.5 1.42e+08 0.4 Wu et al. (2010)
C<S> + H2O  CO + H2 (H2O)
H2 gasification: 1.62 1.5e+08 1 Wu et al. (2010)
C<S> + 2 H2  CH4 (H2)

15 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours…

Temperature (K) Velocity (m/s)

16 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours…

CO Mass fraction CO2 Mass fraction

17 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours…

H2 Mole fraction H2O Mole fraction

18 © 2011 ANSYS, Inc. August 6, 2013


Syngas Composition at Outlet

19 © 2011 ANSYS, Inc. August 6, 2013


Test 2: 200 TPD MHI Coal Gasifier
• Two stage, up flow, prototype entrained flow gasifier
• Operating pressure  2.70 MPa
Proximate Analysis Ultimate Analysis (DAF)
Volatiles 46.80 % Carbon 78.25 %
Fixed Carbon 35.80 % Hydrogen 6.50 %
Ash 12.10 % Oxygen 13.90 %
Moisture 5.30 % Nitrogen 1.13 %
HHV, J/kg (As received) 2.704e+07 Sulfur 0.22%
Combustion burners
Air  Total 4.708 kg/s from 4 burners, 521K
Coal  0.472 kg/s

Char burners
Air  Total 4.708 kg/s from 4 burners, 521K
Coal  1.112 kg/s

Reducer burners
Air  Total 1.832 kg/s from 4 burners, 521K
Coal  1.832 kg/s

20 © 2011 ANSYS, Inc. August 6, 2013 Outlet  Pressure outlet


Results:
Temperature Profile Along The Axis

21 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours

Temperature (K) Velocity (m/s)

22 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours…

CO Mass fraction CO2 Mass fraction

23 © 2011 ANSYS, Inc. August 6, 2013


Results: Contours…

H2 Mole fraction H2O Mole fraction

24 © 2011 ANSYS, Inc. August 6, 2013


Syngas Composition at Outlet

25 © 2011 ANSYS, Inc. August 6, 2013


Summary

• Volatile break up modeling approach


is proposed and validated

• Validation is carried out for both air


blown and oxygen blown gasifiers

• Obtained results are encouraging

• Future work is to validate the


approach for fluidized bed gasifiers

26 © 2011 ANSYS, Inc. August 6, 2013

Оценить