Petroleum Assays 2018

Advanced Process Simulation

Petroleum Assays
Outline
• Components
• Petroleum Assays
• Laboratory Tests
• Handling Assays in PRO/II
• Pitfalls
PRO/II HexTran Inplant DataCon Visual Flare PipePhase Dynsim ROMeo APC EyeSim SimCentral Spiral
PRO/II
Components
3
3
Crude Oil Components
C1
C2
Pure / Library Components C3
iC4
nC4
iC5
nC5
Petroleum Components C6+
NBP 138
NBP 163
NBP 188
NBP 212
Assay Components NBP 237
NBP 262
NBP 287
NBP 312
NBP 337
Crude Oil Components
TBP Data
Temperature ºF
C6+
NBP287
NBP262
NBP212
NBP237
NBP138
NBP188
NBP163
iC4
nC5
iC5
nC4
0 10 20 30 40 50 60 70
Volume % Distilled
Components
PRO/II allows the user to specify several different types of
components for a given simulation.
Component data consist of:

• Library (Pure) Components
• Non-Library (Petroleum / Pseudo) Components
• User-defined Components
• Solid Components*
• Ionic Components*
• Polymer Components*
*Outside the scope of this training
Library Components
Library component data are usually associated with
predefined properties in a data library
PRO/II has:
• 1,700 + components
• Databanks
- SIMSCI
- Latest fully documented databank for PRO/II
- PROCESS
- Default for PROCESS, PipePhase, Hextran, and early versions of PRO/II
- DIPPR*
- Design Institute for Physical Property Research
- OLI*
- Electrolyte systems
*Additional licensing required
Library Components
Pure component data
Nine Fixed Properties
Temperature Dependent Properties
Non-Library Components
Non-Library component data is associated with procedures to estimate
petroleum stream thermophysical properties
There are 2 types:
• Petroleum Assay Data

• Petroleum Components
Petroleum Components
• Individual Petroleum Components are often used to represent a number of
pure components and thereby simplify flowsheets by reducing the total
number of components present
- Use Petroleum Components to simulate heavy or trace components that play a limited role in the
simulation
• Normal Boiling Point
• Gravity
• Molecular Weight
• At least two of three required
• Typically use NBP & gravity
Note:
Properties of light end components depart significantly from the
values predicted by PETRO component characterization. Petroleum
components should have a carbon number of 6 or more. To
model species with lower carbon numbers, use fully defined
components, such as those found in the component data libraries.
Petroleum Assay Components
• Required Data
• Distillation Curve
• Gravity Data
• Optional Data
• Light Ends Analysis
• Molecular Weight Data
Petroleum Assays
13
13
Petroleum Assay
• A petroleum assay is essentially the chemical evaluation of

crude oil feedstocks
• The assay can be an inspection assay or comprehensive

assay
• Provide extensive property data for refiners, oil traders,

producers and design engineers
Petroleum Assay Data
There is a large amount of petroleum assay data available for crude oils of the world
Some is proprietary / some is available in open literature
Typically the data contained in a crude assay includes:
• Yields generated from the physical or simulated distillation
• PONA
• Gravity
• Gas chromatographic components
• Sulfur
• Nitrogen
• Viscosity
• Cold flow (pour point, cloud point, freeze point)
• Heavy Metals
• Salt Content
• Octane / Cetane
• Smoke Point
Distillation Curves
API Project 6 (1927-1954)
• Isolated over 16,000 distinct hydrocarbon compounds
from a single sample of Oklahoma crude
• Obviously not practical to do an elemental analysis
• A number of simple tests were developed to evaluate
crude oil
• One such method plots temperature vs. percent
evaporated to determine the boiling point range
• This calculation is referred to as a distillation curve
C40 has 62,491,178,805,831 isomers!
Distillation Curves
Petroleum Fractions
Nelson 1936
Petroleum Fractions
Pseudocomponents
Pseudocomponents
Pseudocomponents
• The distillation curve is sliced up into an appropriate
number of pseudocomponents 1. MW
2. API
• The pseudocomponent properties are calculated from
the process simulators correlations 3. NBP
• The volume of each pseudocomponent is determined 4. Tc

by the cut size 5. Pc
6. Vc
7. Acentric Factor
8. Heat Formation
9. G Formation
Pseudocomponent Limitations
• Pseudo-components are developed to represent the unknown components
• Each pseudo-component corresponds to several unknown actual
components
• Doing this introduces a degree of uncertainty due to:
1) Cut-Points
– Ranges
– Assay Blending (Cut-Point Sets)
2) Correlations
3) Chemical Moiety
Laboratory Tests
27
27
Distillation Tests
• Indicates the quantities of various products
– Weight / Volume Yields and API vs. Temperature
• Variety of different test methods

– TBP
– D86
– D1160
– D2887
Test Sample – (1 qt. to 50 gallons)
Distillation Tests
True Boiling Point (TBP)
– The best representation of the true composition of the petroleum stream
– Unfortunately, time (minimum of 8 hours) and expense usually limit its use to crude
samples
– There is no standard (ASTM-2892 15:5)
– Fractionating still with reflux
– Separates component by component (sharp cuts)
– Upper limit is approximately 650°F or 900-950°F NBP
– Typically the pressure is reduced to 40 mmHg – 950°F
TBP Equipment
ASTM D86
• The D86 is a non-fractionating test run at
room temperature and pressure
• Condenser is cooled with ice water
specified to be between 32 and 40F
• Most common laboratory distillation
• Most widely used for finished product
specifications
• Reproducibility is reported to be +/- 6
degrees
• Care should be taken to insure data is
corrected for lab pressure
ASTM D1160
• Designed for high boiling point samples
(heavy heating oil, gas oils, residual oils)
• Commonly conducted at 10 mmHg
• Upper limit is approximately 1000°F
• Most labs apply pressure corrections and
report at 760 mm Hg
• Initial point is higher than TBP, from 50% to
end point test is nearly identical to TBP
distillation
• The pressure conversion back to 1 ATM is
prescribed by the ASTM method
ASTM D2887 ASTM D-2887
G.C. simulated distillation approximates TBP distillation
• There are four standard tests ASTM D-3710
ASTM D-5307
ASTM D-6352
ASTM D-6417
• Replaces TBP distillations (time and cost are much less) ASTM D-7096
• Aromatic limitations – aromatic compounds have lower retention times
than normal paraffins
ASTM D-7169
Gravity Data
Gravity Data
• Gravity data is required for assay streams
• There are two ways it can be entered
– Average
– Curve
The stream average gravity is compared to the

supplied average. If they do not agree the estimated
100% gravity is adjusted as needed. If the supplied
gravity curve includes the 95 % point or higher, the
entire gravity curve is normalized until the stream
average is met.
API
API Gravity is a specific gravity scale developed by the American Petroleum
Institute (API) for measuring the relative density of various petroleum liquids. API
gravity is graduated in degrees on a hydrometer instrument and was designed so
that most values would fall between 10 and 70 API gravity degrees.
API = 141.5/SPGR60 - 131.5

Examples
Water = 10.0 API
Kerosene = 45.0 API
Gasoline = 58.0 API
Natural Gasoline = 75.0 API
UOP / Watson K
The UOP Characterization Factor, commonly called K, is

indicative of the general origin and nature of a petroleum stock.
3
"K" = NBP
SPGR
Where: NBP = Mean average boiling point, degrees R
SPGR= specific gravity at 60°F
UOP / Watson K
Examples
Paraffins = 13+
Kansas Crude Oil = 11.8
Cracked Gasoline = 10.9
Condensed Aromatics = 10.0
Values of 12.5 or higher indicate a material predominantly paraffinic in

nature. Highly aromatic materials have characterization factors of 10.0
or less.
Handling Assays in
PRO/II
39
39
Distillation Data Entry in PRO/II
Distillation Data Entry in PRO/II
Distillation Data Calculations in PRO/II
Distillation Data
Light Ends
Process Light Ends in Stream
Convert Data to Equivalent
TBP Curve @ 760mm Hg
Determine Average NBP,

SPGR and MW for
Pseudocomponents
Distribute Assay Curve
into Cuts
Characterize Other
Set of Petroleum
Thermophysical Properties
Components
for Pseudocomponents
Determine Moles, Mass and
Volume for Each Cut
Light Ends
Light Ends
• Light Ends refer to those components lighter than your petroleum assay
• When supplying laboratory data on a light-ends-free basis, omit the
LIGHTENDS statement. Instead, enter the light ends data as an additional
input stream to be blended with the assay stream, to produce the total
stream.
PRO/II
Gravity Data
Page 2
45
45
Gravity Data
Gravity Data
Vol % Cum Vol Vol % API
0 0 0
8 8 4
12.7 20.7 14.35
9.3 30 25.35
10 40 35
7.2 47.2 43.6
15.3 62.5 54.85
13.5 76 69.25
24 100 88
Gravity Data
1700 100
Heavy Naphtha
Light Naphtha
Heavy Gas Oil

Light Gas Oil
1500 90
Light Ends
Kerosene
Bottoms
80
1300
Diesel
70
1100
Temperature (ºF)
60
API Gravity
900
12.7% 10% 15.3% 24% 50
700
8% 9.3% 7.2% 13.5% 40
500
30
300
Enter Gravity at Midpoint 20
of Product Cut
100 10
-100 0
0 10 20 30 40 50 60 70 80 90 100
Percent Distilled
Bulk Properties
• Some simulation programs do not require bulk properties for assay
development
Assay Components
1.00
Measured
0.95
0.90
Specifivc Gravity
0.85
0.80
0.75
0.70
0 20 40 60 80 100
Wt. Percent
Assay Components
1.00
Pro/II Measured
0.95
0.90
Specifivc Gravity
0.85
0.80
0.75
0.70
0 20 40 60 80 100
Wt. Percent
Assay Components
1.00
Pro/II HYSYS Measured

0.95
0.90
Specifivc Gravity
0.85
0.80
0.75
0.70
0 20 40 60 80 100
Wt. Percent
• Most programs requires 2 of the three parameters to be entered
• Some programs only require 1
Property Generation Error
1 Parameter 2 Parameter 2 Parameter 2 Parameter 3 Parameter
MW 3.98% * * 8.55% *
NBP * * 0.39% * *
API -16.90% -9.90% * * *
Ctemp 3.08% 3.09% 0.32% 0.14% 0.15%
Cpress 10.32% 10.39% -1.48% -1.36% -1.32%
Cvol -6.79% -6.86% 2.06% 1.87% 1.84%
Acen -9.08% -8.97% -2.16% -2.39% -2.40%
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Petroleum Assays 2018

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Advanced Process Simulation

Advanced Process Simulation

• Handling Assays in PRO/II

Component data consist of:

*Outside the scope of this training

*Additional licensing required

Nine Fixed Properties

Temperature Dependent Properties

There are 2 types:

• Petroleum Assay Data

• A petroleum assay is essentially the chemical evaluation of

• The assay can be an inspection assay or comprehensive

• Provide extensive property data for refiners, oil traders,

C40 has 62,491,178,805,831 isomers!

• The volume of each pseudocomponent is determined 4. Tc

• Variety of different test methods

Test Sample – (1 qt. to 50 gallons)

The stream average gravity is compared to the

API = 141.5/SPGR60 - 131.5

The UOP Characterization Factor, commonly called K, is

Values of 12.5 or higher indicate a material predominantly paraffinic in

Determine Average NBP,

Heavy Gas Oil

Pro/II HYSYS Measured

1 Parameter 2 Parameter 2 Parameter 2 Parameter 3 Parameter

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