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Elbashir AIChE 2012 - Visulaization
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Transcript of Elbashir AIChE 2012 - Visulaization
CHEMICAL ENGINEERING PROGRAM
Development of Visualization Models for
the Correlations Between Synthetic Jet Fuels
Hydrocarbon Structure and their Properties
Elfatih Elmalik, Jahanur Rahman, Nimir Elbashir
Texas A&M University at Qatar
2012 American Institute of Chemical Engineers Annual Meeting
Pittsburgh, PA
October 31st, 2012
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Outline
Introduction
Project Structure
Blending Studies
Statistical Analysis
Visualization Development
Summary
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Oil
Gas
Coal
Hydro
Nuclear
Renewable
Total Primary Energy: 4 EJ/year
Potentials for natural gas to play amajor role in the “Energy Market”
0 5 10 15 20 25 30
Russia
Iran
Qatar
Saudi Arabia
United Arab Emirates
United States
Algeria
Nigeria
Venezuela
Iraq
Indonesia
Australia
Malaysia
Rest of the world
Total Reserve 6,607 tcf
CHEMICAL ENGINEERING PROGRAM
Oil
Gas
Coal
Hydro
Nuclear
Renewable
Total Primary Energy: 4 EJ/year
Physical
1/600 volume
Natural Gas
Pipeline
LNG
GTL
Qatar’s aspiration to become the “World Gas Capital” led to the building the largest GTL and LNG plants in the world.
Natural Gas Processing
CHEMICAL ENGINEERING PROGRAM
Dolfin Gas Project OryxGTL Plant
ExxonMobil LNG FacilitiesShell the Pearl GTL Plant
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Introduction – Energy Market
- Major producers and users are located at great distances from each other.
- Fuels must be transported great distances.
- Due to transportation concerns, liquid fuels are favored.
Figure 3: Major trade movements 2009 (Millions of tons) [BP Statistical Review of world energy 2010]
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Cleaner Skies
Qatar Airways Makes Historic Journey With First GTL Fueled Commercial Flight From London Gatwick To Doha.
New Gas-to-Liquids Fuel offers Diversity of Supply and better local Air Quality at busy Airports.
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Consortium A unique collaboration
between industry and academia partners.
Each partner works on specific topics and collaborate towards the overall objective.
The testing is split up as follows:
Properties Testing Combustion Testing Performance Review
Technical Guidance
Funding Agencies
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Overview of TAMUQ Fuel Characterization Lab
Built a world class research lab to support the development of the Fuel Technology Capabilities of Qatar for Gas-to-Liquid (GTL) processes.
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Supercritical Fluid FTS Reactor
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Research Goals
Work with industry & academia partners to develop future synthetic jet fuels obtained via Gas-to-Liquid [GTL] (i.e. Synthetic Paraffinic Kerosene [SPK]).
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ExperimentalObjectives:
To develop correlation between the property and the hydrocarbon structure
Blending of GTL Kero with chemical solvents to alter its physical properties
To optimize the physical properties, so that they lie within the limits imposed for Jet Fuels as given in Table 2.
Property Min Max
Density (g/ml) 0.775 0.84
Flash Point (°C) 38
Freezing Point (°C) -47
Viscosity @ -20°C cSt 8
Heat Content (MJ/Kg) 42.8
Table 2: Jet Fuel Property Limits
CHEMICAL ENGINEERING PROGRAM
GTL Kerosene
Region of optimal properties
Raza, Elmalik & Elbashir 2011. Perp. Fuel Chem. Div. 56; p. 431.
Property Min Max
Density (g/ml) 0.775 0.84
Property Min Max
Freezing Point
(°C)
-47
Property Min Max
Flash Point (°C) 38
Initial Assessment
n-Paraffin iso-Paraffin
cyclo-Paraffin
CHEMICAL ENGINEERING PROGRAM
Blending Strategy
• Aim to refine the compositional maps by starting with a broad mix of blends
• A broad initial scope will allow for a better understanding of how the linearity and non-linearity properties vary with n-paraffin, i-paraffin and cylcoalkane content.
• The scope can then be narrowed towards the area of ultimate focus by using neural network statistical analysis.
• The area of ultimate focus is fluid and will be constantly updated after each batch of blends is tested.
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Density
• Strongly linear results observed
• Density strongly effected by the cyclo-paraffin composition
• normal- and iso- paraffins have low densities, less than the aviation requirements
0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
0
80
60
20
ip
40
20
40
0
np60
80
60
cp
80
40
20
0
0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
0.7
0.72
0.74
0.76
0.78
0.8
0.82
0.84
0.86
GTL Kero
g/ml
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Freezing Point 0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
0
80
60
20
ip
40
20
40
0
np60
80
60
cp
80
40
20
0
0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
-70
-65
-60
-55
-50
-45
-40
-35
-30
-25
-20
GTL Kero
°C• The use of other solvents causes significant
changes in the freezing point
• This indicates that carbon number may have a larger influence on the freezing point than previously discussed
CHEMICAL ENGINEERING PROGRAM
0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
0
80
60
20
ip40
20
40
0
np60
80
60
cp
80
40
20
0
0
20
40
60
80
020406080
0
20
40
60
80
np
cp ip
30
35
40
45
50
55
60
Flash Point
• Linear results observed
• Majority of points meet the target flash point of 50 °C
°C
GTL Kero
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0
20
40
60
80
020406080
0
20
40
60
80
heatcontent
np
cp ip
0
20
40
60
80
020406080
0
20
40
60
80
heatcontent
np
cp ip
0
80
60
20
ip
40
20
40
0
np
heatcontent
60
80
60
cp
80
40
20
0
42.5
43
43.5
44
44.5
Heat Content
• Mainly Linear Results observed
• Along the iso-paraffin axis there appears to some non-linearity
• All areas meet the jet fuel limits for heat content
GTL Kero
MJ/Kg
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Region of Optimum Properties
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Density Freezing point
Flash point Heat content
Overlap
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Artificial Neural Network
• Neural network analysis is used to develop a link between input and output values.
• In this study the input values are the 3 compositions (technically 2 inputs since the balance is 1), and the output values are the properties.
• The network developed was trained using the results from phase experimental data.
• The network was able to make strong linkages between the inputs and outputs for most of the properties.
• The model can be improved by increasing the number of data points.
Neural Network Regression
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Results - Density
Density Results: ANN shows excellent predictability
g/mL
Experimental Results Neural Network Results
g/mL
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Results – Freezing Point
°C
Freezing Results: ANN shows excellent predictability
Experimental Results Neural Network Results
°C
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Aromatics in Jet Fuels
An experimental campaign concerned with evaluating the role of aromatics was executed in two tracks as follows:
Track 1: mono-aromatic (Toluene) was added to GTL-Kero (SPK).
Track 2: mono-aromatic (Toluene) was added to the previously established mixtures of n-, iso- and cyclo-paraffins.
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Visualization
3-D neural network supports two types of analysis:
Surface or area analysis (2-D analysis of the four surfaces of the
pyramid)
Depth or volumetric analysis (3-D analysis or “slices” within the
pyramid)
Both are unique analysis tools, with the 3-D pyramid being crucial in incorporating extra inputs.
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Skeleton of 3-D Pyramid
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Surface & Area Analysis
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ANN 3-D Visualization
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Summary and Future Work
The methodology and the programing we developed as the outcome of this research project will be extended to look at different synthetic jet fuels compositions of different carbon numbers.
Visualize and identify the optimum composition of synthetic jet fuels in the presence of aromatics.
Our research efforts are directed towards finding replacement(s) of these aromatics from the heavy hydrocarbons to minimize their composition in jet fuels, and this 3-D visualization technique will significantly improve our visualization of the experimental data and reduce data analysis required to identify the optimum region of composition.
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Acknowledgements Collaborators
Willem ScholtenAli Al-SharshaniDr. Joanna Bauldreay
Prof. Chris Wilson Dr. John Moran
Prof. Manfred AignerDr. Patrick LeClercq
Paul Bogers
Funding Agencies:
Prof. Reza Sadr
CHEMICAL ENGINEERING PROGRAM
CHEMICAL ENGINEERING PROGRAM
336F Texas A&M Engineering Building
Education City
PO Box 23874
Doha, Qatar
Tel. +974.423.0017
Fax +974.423.0065
http://chen.qatar.tamu.edu
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Thank You!
Questions?