SUPPORTING INFORMATION

FOR

GLOBAL OPTIMIZATION OF REFINERY WIDE PRODUCTION

PLANNING WITH HIGHLY NONLINEAR UNIT MODELS

Mahmud R. Siamizade

School of Chemical, Biological and Materials Engineering, University of Oklahoma, Norman,

Oklahoma USA 73019

E-mail address: Mahmud.R.Siamizade-1@ou.edu

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 Table S1. Primary Correlating Parameters for Refinery Processes [35]

Process Feedstock Conversion Level/

Quality Operating Conditions

Catalytic Reforming Unit (CRU) 1. Aromatic 1. Reformate Octane

Content Number
2. Naphthene
Content 2. Operating Pressure
Fluid Catalytic Cracking (FCC) 1. Gravity 1. Conversion
2. Boiling Point
3. Aniline Point
4. Sulfur Content
Gas Oil Hydrocracking (HC) 1. Gravity 1. Light Gasoline Yields
2. Characterization 2. Final Product End
Factor Point
Hydrotreating/Hydrodesulfurization 1. Sulfur Content 1. Degree of
2. Nitrogen Desulfurization
(HT/HDS) Content
3. Gravity
4. Bromine No.
5. Metals Content
Visbreaking (VB) 1. Normal Pentane 1. Maximum Conversion
Insolubles Consistent with Stable
2. Sediment Fuel Oil Product

Delayed Coking (DC) 1. Conradson 1. Maximum Gasoline

Carbon Residue and Distillate Yield

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 Table S2. Maximum Capacity of Refinery Unit u (bb/d)

Refinery Unit Capacity

CDU 225000
FCC 140000
CRU 80000
HC 70000
HT1 50000
HT2 50000
HDS1 50000
HDS2 100000
HDS3 80000
VB 80000
DC 84000
GT 86000
JFT 80000
DFT 82000
FOT 80000

Table S3. Typical Demand Data for Commodity c (bbl/d)

Commodity Demand
G 86000
JF 29000
DF 72000
FO 14000

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 Table S4. Sale/Purchase Price of Commodity c ($/bbl)

Commodity Sale\Purchase Price

Alaska Crude 53.43
EtOH 60.90
G 82.03
JF 67.75
DF 75.39
FO 47.96

Table S5. Refinery Units Inlet Flow Rates Calculated by the Nonlinear Model

Refinery Unit Max Capacity Inlet Flow Rate

Capx(u) Fin(f,u)
(BPSD) (BPSD)
Crude Distillation Unit (CDU) 225000 225000
Catalytic Reforming Unit (CRU) 80000 41132.31
Fluid Catalytic Cracking (FCC) 140000 27462.71
Hydrocracking (HC) 70000 24615.176
Naphtha Hydrotreater (HT1) 50000 608.57
Middle Distillate Hydrotreater (HT2) 50000 28284.36
HCO Hydrodesulfurizer (HDS1) 50000 13587.36
VGO Hydrodesulfurizer (HDS2) 100000 84762.13
VR Hydrodesulfurizer (HDS3) 80000 29711.33
Visbreaker (VB) 80000 5870.32
Delayed Coker (DC) 84000 3110.96

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Table S6. Optimal Volume Yield Data Calculated by the Nonlinear Model for Intermediate
Products

Product/Unit Volume Yield Y(c,u)

SRLN.CDU 6.534
SRHN.CDU 12.571
K .CDU 14.215
AGO.CDU 11.678
VGO .CDU 37.672
VR .CDU 17.330
FG .CRU 1.838
REFBASE.CRU 99.200
REF.CRU 100.00
C3_LPG.VB 1.580
C4_LPG.VB 1.425
LPG.VB 3.005
NAP.VB 11.877
LGO.VB 14.515
HGO.VB 12.849
R.VB 58.576
FO.VB 85.940

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Table S7. Optimal Weight Yield Data Calculated by the Nonlinear Model for all Products

Product/Unit Weight Yield Yw(c,u)

FG .FCC 2.072
C3_LPG.FCC 8.087
C4_LPG.FCC 4.279
LPG.FCC 12.366
C3PROD.FCC 60.674
G.FCC 48.308
TCO.FCC 12.203
LCO.FCC 6.989
HCO.FCC 5.213
NAP.HC 13.51
MD.HC 42.72
G.HC 34.77
NAP.HT1 99.77
NAP.HT2 15.69
MD.HT2 83.76
NAP.HDS1 3.29
MD.HDS1 7.95
HCO.HDS1 85.76
NAP.HDS2 0.94
MD.HDS2 5.87

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 Table S7 Continued.

Product/Unit Weight Yield Yw(c,u)

VGO.HDS2 90.61
NAP.HDS3 1.77
MD.HDS3 7.81
FO.HDS3 86.37
NAP.VB 7.27
LGO.VB 21.43
HGO.VB 19.11
R.VB 48.77
NAP.DC 11.38
LGO.DC 24.88
HGO.DC 25.23
COKE.DC 30.71

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 Table S8. Optimal Product Quality Data Calculated by the Model for Final Products

Product Quality Property Data

RON(G,FCC) 95.32
RON(G,HC) 98.71
MON(G,FCC) 83.66
MON(G,HC) 92.57
MON(REF,CRU) 80.13
PON(G,GP) 88.73
RVP(REF,CRU) 3.82 psia
SP(JF,JFP) 21.53 mm
FP(JF,JFP) -40 (°F)
CI(DF,DFP) 40.12
Vis122(DF,DFP) 1.9 cSt
PP(FO,FOP) -85.55 (°F)
Vis210(FO,FOP) 8.9 cSt

Table S9. Thermodynamic Data for Major Hydrocarbon Cuts in FI-based CDU Model [39]

Hydrocarbon Cuts Vapor Pressure Coefficients in Antoine Equation

A B C

G 6.926 1284 219

N 6.9355 1497 196

K 7.0972 1758 183

GO 6.688 1599 133

R 6.408 1516 94

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Appendix.

Geddes Fractionation Index (FI)

The fractionation index (FI) is a quantitative criterion for sharpness of fractionation with

complex mixtures by a fractionator. 36 The index is the equivalent number of theoretical plates,

operating at total reflux, which would affect the same component separation as the fractionator.

In the case of crude oils, the number of components is numerous and the data have been broken

down into short fractions which have then been treated as pseudocomponents in subsequent

column calculations.37 The FI model is a more accurate nonlinear model for the complex crude

distillation unit (CDU) than the fixed yield or the swing cuts models and optimizes the crude cuts

quantities and temperature while being independent from crude type, characteristics of the CDU,

and readily calculated.19

In a distillation unit, the distribution of a component i in the top and bottom product streams,

expressed as molar fraction yi and xi, are related to the relative volatility 𝛼𝑖𝑜 of component i to

reference component o for fractionation at total reflux operation through the following equation:

𝑦𝑖 𝑦𝑜
= 𝛼𝑛𝑖𝑜 (𝐴 ― 1)
𝑥𝑖 𝑥𝑜

Geddes 36 plotted the component product composition ratio versus the relative volatility on a

logarithmic scale as seen in Figure A.1, a straight line with two slopes, changing the slope at the

reference component used for the relative volatility calculation. Geddes observed that the

resulting slope reflects the fractionation power of the column. On the other hand, a line with two

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slopes means unequal fractionation power in the column. Geddes named the slope of the line the

“fractionation index” (FI).

Figure A.1. Component distribution ratios for a fractionation column (Courtesy of Grossmann et al.19 ).

He also suggested using it in other calculation methods used at the time, including Thiele-

Geddes:

𝑦𝑖 𝑦𝑜
= 𝛼𝐹𝐼
𝑖𝑜 (𝐴 ― 2)
𝑥𝑖 𝑥𝑜

Gilbert et al.37 extended the use of FI to crude distillation units (CDU). Jakob 38 suggested using

the component equilibrium constant K in the FI equation as an acceptable simpler approximation

for the relative volatility term .

To use the FI method, Grossmann et al. 1,19 model the complex CDU as a series of simple

fractionation units, knowing the feed crude oil assay and rate, FI values, and the temperature

ranges for the cuts. Each unit has top and bottom product streams. The top product is fed to the

next unit, except for the last unit where it is the CDU overhead product. The bottom product of

each unit is withdrawn as one of the CDU product streams. The temperature used for the FI

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equation at every unit is the cut point temperature of the unit product limited to a predefined

range. This range represents the overlap or gap temperature of adjacent crude cuts.

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