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Aspen HYSYS Clean Fuels V7 - 0-User Guide
Aspen HYSYS Clean Fuels V7 - 0-User Guide
Aspen HYSYS Clean Fuels V7 - 0-User Guide
Clean Fuels
Property
Package
User’s Guide
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Version Number: 7.0
Aspen HYSYS, Aspen Cleanfuels, and the aspen leaf logo are trademarks or registered trademarks of
Aspen Technology, Inc., Burlington, MA..
All other brand and product names are trademarks or registered trademarks of their respective
companies.
This document is intended as a guide to using AspenTech's software. This documentation contains
AspenTech proprietary and confidential information and may not be disclosed, used, or copied without
the prior consent of AspenTech or as set forth in the applicable license.
Although AspenTech has tested the software and reviewed the documentation, the sole warranty for the
software may be found in the applicable license agreement between AspenTech and the user.
ASPENTECH MAKES NO WARRANTY OR REPRESENTATION, EITHER EXPRESSED OR IMPLIED, WITH
RESPECT TO THIS DOCUMENTATION, ITS QUALITY, PERFORMANCE, MERCHANTABILITY, OR FITNESS
FOR A PARTICULAR PURPOSE.
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-v
Technical Support
-v
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http://support.aspentech.com
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For the most up-to-date phone listings, please see the Online
Technical Support Center at:
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Table of Contents
Technical Support..................................................... v
Online Technical Support Center ............................vi
Phone and E-mail ................................................ vii
A References ...........................................................A-1
Index.................................................................... I-1
ix
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x
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Introduction 1-1
1 Introduction
1-1
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1-2
1-2
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Introduction 1-3
1-3
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1-4 Meeting New Sulphur Levels in
1-4
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Gasoline Fractionation 2-1
2 Gasoline
Fractionation
2-1
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2-2 Gasoline Sulphur Species
2-2
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Gasoline Fractionation 2-3
2-3
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2-4 Gasoline Sulphur Species
2-4
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Gasoline Fractionation 2-5
2-5
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2-6 Light/Medium Gasoline
2-6
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Gasoline Fractionation 2-7
2-7
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2-8 Improve Fractionator Design
2-8
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Gasoline Fractionation 2-9
Figure 2.2
VLE Diagram for nPropylMercapatn and Hexane at 1 atm
2-9
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2-10 Improve Fractionator Design
2-10
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Clean Fuels Property Package 3-1
3.1 Introduction................................................................................... 2
3-1
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3-2 Introduction
3.1 Introduction
The Clean Fuels Property Package is a specially designed
property package for the accurate VLE representation of thiol-
hydrocarbon containing systems. The Clean Fuels Pkg contains
the latest advances made in the development of cubic equations
of state and mixing rules. A new vapour pressure alpha function
is available that is correlated against DIPPR vapour pressure
data as well as DIPPR pure component properties for 1454
HYSYS components. New databases are available containing
regressed coefficients for 101 thiol-hydrocarbon binary pairs,
and a new proprietary thiol-hydrocarbon estimation method is
able to predict the formation of azeotropes and calculate the
binary parameters from infinite dilution activity coefficient data.
The Clean Fuels Pkg allows User Data to be supplied for
azeotropes and infinite dilution activity coefficient data as well
as supporting 49 DIPPR thiol containing components listed in the
table of the sulphur species supported in HYSYS for the Clean
Fuels Property Package in Section 2.1 - Gasoline Sulphur
Species Distribution.
3-2
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Clean Fuels Property Package 3-3
RT - a
P = ---------- – -------------------------------------------- (3.1)
v – b v 2 + 2.5bv – 1.5b 2
RT- – --------------------------------------------
a
P = ---------- - (3.2)
v – b ( v + 3b ) ( v – 0.5b )
2 2
a ( T c ) = 0.427481R T c ⁄ P c (3.3)
b = 0.086641RT c ⁄ P c (3.4)
Z c = 0.296296 (3.5)
where:
c = critical point
The value of Zc from the SRK and PR equations are both larger
than 0.3 while Zc from the TST equation is slightly below it,
closest to the real one for many substances.
3-3
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3-4 Thermodynamic Model
NM
N ( M – 1 ) L ( 1 – Tr ) (3.6)
α = Tr e
where:
* E E
* a vdw 1 - ⎛ ------
A 0 A 0vdw b vdw ⎞
⎜ - – -------------- – ln ⎛⎝ -----------⎞⎠ ⎟
*
a = b ----------
- + -------- (3.8)
b vdw C v0 ⎝ RT
* RT b ⎠
1---
b = ∑ ∑ xi xj 2 i
( b + bj ) (3.9)
i j
3-4
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Clean Fuels Property Package 3-5
*
1 ⎛ v 0 + w⎞
C v0 = – ----------------- ln ⎜ --------------
-⎟ (3.10)
( w – u ) ⎝ v* + u ⎠
0 vdw
E E * *
A 0vdw A ∞vdw a vdw ai
-------------- = --------------- - – ∑ x i ----*-
= C v0 ---------- (3.11)
RT RT *
b vdw i b i
E
n ∑ xj τji Gji
G
∑ xi ------------------------
j -
------- = n (3.12)
RT
∑ xk Gki
i
A
τ ji = ------ji (3.13)
T
3-5
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3-6 Thermodynamic Model
G ji = exp ( – α ji τ ji ) (3.14)
1 (3.15)
τ ji = --- δ ij b i
2
b
G ji = ----j (3.16)
bi
where:
2
C v0 ⎛ a i a⎞ ai aj
- ⎜ -------- – --------j⎟ + 2k ij -------- --------
δ ij = – – -------- (3.17)
RT ⎝ b i bj ⎠ b i bj
*
v 0vdw = r (3.18)
1 r+w
C r = – ----------------- ln ⎛ ------------⎞ (3.19)
(w – u) ⎝ r + u⎠
3-6
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Clean Fuels Property Package 3-7
3-7
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3-8 Thermodynamic Model
3-8
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Clean Fuels Pkg Extension 4-1
4-1
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4-2 Using the Clean Fuels Pkg Extension
4-2
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Clean Fuels Pkg Extension 4-3
Figure 4.1
4-3
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4-4 Clean Fuels Pkg Property View
Figure 4.2
The Clean Fuels Pkg property view has two tabs (NRTLTST and
TST CEOS), and on each tab are groups of related parameters.
4-4
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Clean Fuels Pkg Extension 4-5
methods.
User Data
The User Data button allows the user to provide either infinite
dilution activity coefficient data or azeotrope data per binary in
the calculation of interaction parameters for azeotrope
prediction of thiol-hydrocarbon binaries.
Figure 4.3
4-5
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4-6 Clean Fuels Pkg Property View
The Twu Alpha Params button allows the user access to the Twu
vapor pressure alpha function parameters L, M and N, as well as
access to the DIPPR pure component properties Tc and Pc.
Figure 4.4
4-6
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Clean Fuels Pkg Tutorial 5-1
5.1 Introduction................................................................................... 2
5-1
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5-2 Introduction
5.1 Introduction
The following example demonstrates how to use the Clean Fuels
Pkg to model a gasoline fractionator. In this example, a light/
medium gasoline is fractionated in a gas plant column. The
amount of sulphur is calculated in the light gasoline and the
gasoline endpoint is set to 150°F for design. The case will
consist of a FCC Gasoline feed stream to the tower and two
outlet streams, a light gasoline product stream and an
intermediate naphtha which is sent to an upstream hydrotreater
for further treating. The design objective is to maximize the
yield of light gasoline since hydrotreating of gasoline results in
severe octane loss.
Figure 5.1
5-2
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Clean Fuels Pkg Tutorial 5-3
Component Name
i-Butane
i-Butene
n-Butane
i-Pentane
1-Pentene
2M-13-C4==
Cyclopentene
3M1C5=
Cyclopentane
23-Mbutane
2-Mpentane
2M1C5=
1-Hexene
n-Hexane
5-3
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5-4 Flowsheet Setup
Figure 5.2
Figure 5.3
5-4
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Clean Fuels Pkg Tutorial 5-5
7. In the Input Data group, click on the Edit Assay button. The
Assay Input Table property view appears.
Figure 5.4
5-5
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5-6 Flowsheet Setup
9. After you have entered the assay input data, click the OK
button to return to the Assay property view.
Figure 5.5
10. Close the Assay property view to return to the Oil Manager
property view.
11. Click on the Cut/Blend tab to create a Blend object.
12. Click the Add button. The Blend property view appears.
Figure 5.6
5-6
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Clean Fuels Pkg Tutorial 5-7
14. From the Cut Option Selection drop-down list of the Data
tab, select Auto Cut.
15. Click the Add button to select the assay.
Figure 5.7
The default Flow Unit is Liquid Volume ensure that you have
selected Mass from the drop-down list before specifying the
flow rate.
17. Close the Blend property view to return to the Oil Manager
property view.
18. Click on the Install Oil tab, and in the Stream Name
column type FCC Gas Oil as shown in the figure below.
Figure 5.8
5-7
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5-8 Flowsheet Setup
19. Click the Calculate All button to calculate the all the assays
and blends. Then click the Return to Basis Environment
button. The Simulation Basis Manager appears.
20. Click on the Fluid Pkgs tab, and then click the View button.
Ensure that you have selected the Clean Fuels Pkg in the
Current Fluid Packages list.
21. From Fluid Package property view, click the View Property
Package button. The Clean Fuels Pkg property view
appears.
Figure 5.9
5-8
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Clean Fuels Pkg Tutorial 5-9
Ensure that you have the Mass Flow radio button selected in
the Composition Basis group of the Input Composition from
Stream property view before specifying the stream
composition.
24. Create two streams named Sulphur Spike and Light Ends
in the Simulation Environment with the following stream
conditions and composition.
Conditions
Stream Name Sulphur Spike
Temperature [F] 100
Pressure [psia] 114.6
Mass Flow [lb/hr] 219.6
Composition Mass Flow [lb/hr]
2C3Mercaptan 60.1
nPMercaptan 53.5
Thiophene 106.0
Conditions
Stream Name Light Ends
Temperature [F] 100
Pressure [psia] 114.6
Mass Flow [lb/hr] 1.705E+005
Composition Mass Flow [lb/hr]
i-Butane 392.2
i-Butene 13543.9
n-Butane 2318.5
i-Pentane 40094.1
1-Pentene 49783.6
2M-13-C4== 1475.2
Cyclopentene 2345.5
3M1C5= 2162.2
Cyclopentane 1138.2
23-Mbutane 5138.8
2-Mpentane 30575.8
2M1C5= 3221.3
5-9
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5-10 Modeling the Gasoline Fractionator
Conditions
1-Hexene 12306.8
n-Hexane 6004.2
25. Define the FCC Gas Oil stream conditions as shown in the
table below.
Conditions
Temperature [F] 100
Pressure [psia] 114.6
Mass Flow [lb/hr] 364008.7
Liq. Vol Flow [barrel/day] 32784.7
For more information on 26. Add a Mixer with the outlet stream named FCC Gasoline,
adding a Mixer, refer to
and feed streams Sulphur Spike, Light Ends and FCC Gas
Section 6.3 - Mixer in
the HYSYS Operations Oil.
Guide.
27. Add a shell and tube Heat Exchanger with a 10 psi pressure
For more information on drop on both shell and tube sides.
adding a Heat Exchanger,
refer to Section 4.4 - The Shell side of the heat exchanger will heat the feed to the
Heat Exchanger in the
HYSYS Operations
column while the tube side cools the column bottoms
Guide. product.
28. In the Heat Exchanger property view, name the tube side
feed Medium Gasoline and the outlet tube side to
Hydrotreater.
29. Specify the shell side feed FCC Gasoline, and name the
outlet shell side Feed to Fractionator.
30. Specify a stream temperature of 223°F for Feed to
Fractionator.
31. In the Parameters page of the Heat Exchanger property
view, change the Heat Exchanger Model to Exchanger
Design (Weighted).
5-10
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Clean Fuels Pkg Tutorial 5-11
Figure 5.10
5-11
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5-12 Modeling the Gasoline Fractionator
Figure 5.11
The figure below shows the Monitor page after adding a TBP
End Point Volume Percent column.
Figure 5.12
5-12
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Clean Fuels Pkg Tutorial 5-13
Figure 5.13
Figure 5.14
5-13
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5-14 Modeling the Gasoline Fractionator
5.3.1 Exercises
1. Add a HYSYS Spreadsheet (Sulphur Calculations) to
calculate the total sulphur content in ppm wt of light
gasoline.
Spreadsheet Connections
Figure 5.15
5-14
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Clean Fuels Pkg Tutorial 5-15
Figure 5.16
5-15
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5-16 Plot Utility
Figure 5.17
5-16
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References A-1
A References
1
Halbert, T. R., Brignac, G. B., Greeley, J. P., Demmin, R. A. and
Roundtree, E. M., “Getting Sulfur on Target,” Hydrocarbon
Engineering, June 2000, pp.1-5.
2
Golden, S. W., Hanson, D. W. and Fulton, S. A., “Use Better
Fractionation to Manage Gasoline Sulphur Concentration,”
Hydrocarbon Processing, February 2002, pp. 67-72.
3
Twu, C.H., Sim, W.D. and Tassone, V., “A versatile liquid activity
model for SRK, PR and a new cubic equation-of-state TST”, Fluid
Phase Equilibria 194-197, 2002, pp. 385-399.
4
Twu, C.H., Bluck, D., Cunningham, J.R. and Coon, J.E., Fluid Phase
Equilibria, 69, 1991, pp. 33-50.
5
Wong, S.H. and Sandler,S.I., 1992, AIChE J., 38, 1992, pp. 671-680.
6
Twu, C.H., Wayne, D., and Tassone, V., “Liquid Activity Coefficient
Model for CEOS/AE Mixing Rules” Fluid Phase Equilibria, 183-184,
2001, pp. 65-74.
7
Twu, C.H., Coon, J.E. and Bluck, D., Fluid Phase Equilibria, 150-151,
1998, pp. 181-189.
A-1
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A-2
A-2
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Index
C
Clean Fuels Pkg
adding 4-2
NRTLTST tab 4-4
property view 4-4
TST CEOS tab 4-5
tutorial 5-1–5-15
Clean Fuels Pkg Extension
user interface 4-3
using 4-2
E
Estimation Methods 3-7
F
Fractionator design
through accurate VLE models 2-8–2-10
G
Gasoline Sulphur species distribution 2-2–2-4
L
Light/Medium Gasoline fractionation 2-5–2-7
M
Modeling the Gasoline Fractionator 5-10
N
NRTLTST tab 4-4
User Data 4-5
P
Plot Utility 5-15
R
Requirements
system 4-2
T
Thermodynamic Model 3-2–3-7
estimation methods 3-7
TST CEOS tab 4-5
U
User Data 4-5
User Interface
Clean Fuels Pkg Extension 4-3
I-1
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I-2
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