SLIDE 1 INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO INCORPORATINGPRODUCTDESIGNINTO THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW THEDEVELOPMENTOFNEW REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS
- [1] Vapor-Compression Refrigeration. Answers.com. 4/27/2007
<http://www.answers.com/topic/vapor-compression-refrigeration>.
SLIDE 2 PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE PRESENTATIONOUTLINE
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SLIDE 3
BACKGROUND BACKGROUND BACKGROUND BACKGROUND BACKGROUND BACKGROUND BACKGROUND BACKGROUND
SLIDE 4 HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION HISTORYOFREFRIGERATION
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SLIDE 5 HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION
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[2] Calm, James M. and David A. Didion. "Trade-Offs in Refrigerant Selections: Past, Present and Future." Int. J. Refrig., 21, 308 (1998).
SLIDE 6 HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF HISTORYOF REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION REFRIGERATION
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SLIDE 7 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830 REFRIGERANTSFROM1830
PRESENT PRESENT PRESENT PRESENT PRESENT PRESENT PRESENT
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[3] Calm, James M. and Glenn C. Hourahan. Refrigerant Data Update. January 2007. Heating/Piping/Air Conditioning Engineering. Feb. 7, 2007 <http://www.hpac.com/Issue/Article/44475/Refrigerant Data Update>.
SLIDE 8 REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE REFRIGERANTPHASE
OUT OUT OUT OUT OUT OUT OUT
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SLIDE 9 PHASE PHASE PHASE PHASE PHASE PHASE PHASE PHASE
OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS
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SLIDE 10 PHASE PHASE PHASE PHASE PHASE PHASE PHASE PHASE
OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR OUTSCHEDULEFOR HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS HCFCS
SLIDE 11
THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER THEUSEOFCONSUMER PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN PREFERENCEFUNCTIONSIN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN REFRIGERANTDESIGN
SLIDE 12 CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND FUNCTIONSANDDEMAND
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SLIDE 13 DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOFα α
&& &&
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0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1 2 3 4 5 6 7 8 9 10 Time (Years) Alpha
Alpha vs. Time
0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1 1 2 3 4 5 6 7 8 9 10 Time (Years) Alpha
SLIDE 14 DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOF DEVELOPMENTOFβ β
>0β β & &
A:
Aω ω
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2
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SLIDE 15 CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS
& * *
SLIDE 16 WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD WHATMAKESAGOOD REFRIGERANT? REFRIGERANT? REFRIGERANT? REFRIGERANT? REFRIGERANT? REFRIGERANT? REFRIGERANT? REFRIGERANT?
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SLIDE 17 CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS
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[4] Calm, James M. and David A. Didion. "Trade-Offs in Refrigerant Selections: Past, Present and Future." Int. J. Refrig., 21, 308 (1998).
SLIDE 18 SURVEY1 SURVEY1 SURVEY1 SURVEY1 SURVEY1 SURVEY1 SURVEY1 SURVEY1
7 8 10 9 10 8 )*
SLIDE 19 ESTIMATING ESTIMATING ESTIMATING ESTIMATING ESTIMATING ESTIMATING ESTIMATING ESTIMATINGω ω
*&
(
- Weighted Consumer Preferences
0% 2% 4% 6% 8% 10% 12% 14% 16% 18% 20% Coefficient of Performance Flammability Toxicity Explosion Potential Global Warming Potential Ozone Depletion Potential w i% (where Σw i=100%) `
SLIDE 20 Property Score vs. Sweetness 0.00 0.20 0.40 0.60 0.80 1.00 Not Sweet Semi Sweet Very Sweet Sweet Inedible Sweetness Property Score vs. Sweetness 0.00 0.20 0.40 0.60 0.80 1.00 Not Sweet Semi Sweet Very Sweet Sweet Inedible Sweetness
SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2
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P r oper t y S cor e vs. Conc . S ugar 0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 0.4 0.8 1.2 1.6
Property Score Consumer Satisfaction vs. Sweetness
SLIDE 21 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – EFFICIENCY EFFICIENCY EFFICIENCY EFFICIENCY EFFICIENCY EFFICIENCY EFFICIENCY EFFICIENCY
Property Score vs. Efficiency
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Not Efficient Marginally Efficient Efficient Highly Efficient Extremely Efficient
Property Score vs. Efficiency
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Not Efficient Marginally Efficient Efficient Highly Efficient Extremely Efficient
Consumer Satisfaction vs. Efficiency
Property Score vs. Hve/Cp
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 0.5 1 1.5 2 2.5 3 Hve/Cp Property Score
SLIDE 22 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – FLAMMABILITY FLAMMABILITY FLAMMABILITY FLAMMABILITY FLAMMABILITY FLAMMABILITY FLAMMABILITY FLAMMABILITY
Property Score vs. Flash Point
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 50 100 150 200 250 Flash Point (F) Property Score
Property Score vs. Flammability
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Non Flammable Slightly Flammable Flammable Highly Flammable Extremely Flammable
Property Score vs. Flammability
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Non Flammable Slightly Flammable Flammable Highly Flammable Extremely Flammable
Consumer Satisfaction vs. Flammability
SLIDE 23 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – TOXICITY TOXICITY TOXICITY TOXICITY TOXICITY TOXICITY TOXICITY TOXICITY
Property Score vs. LD50 Conc.
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 500 1000 1500 2000 2500 3000 LD50 (mg/kg) Property Score
Property Score vs. Toxicity
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Non Toxic Very Slightly Toxic Slightly Toxic Moderately Toxic Highly Toxic Extremely Toxic
Property Score vs. Toxicity
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
Non Toxic Very Slightly Toxic Slightly Toxic Moderately Toxic Highly Toxic Extremely Toxic
Consumer Satisfaction vs. Toxicity
SLIDE 24 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – EXPLOSION EXPLOSION EXPLOSION EXPLOSION EXPLOSION EXPLOSION EXPLOSION EXPLOSION POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL
Property Score vs. Explosion Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No Risk Low Risk Moderate Risk High Risk Extremely Risk
Property Score vs. Explosion Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No Risk Low Risk Moderate Risk High Risk Extremely Risk
Property Score vs. LEL
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 2 4 6 8 10 12 14 16 LEL (%) Property Score
Consumer Satisfaction vs. Explosion Potential
SLIDE 25 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL
Property Score vs. GWP
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 1000 2000 3000 4000 5000 6000 GWP (Rel. CO2) Property Score
Property Score vs. Global Warming Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No GWP Very Slight GWP Slight GWP Moderate GWP High GWP Extremely High GWP
Property Score vs. Global Warming Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No GWP Very Slight GWP Slight GWP Moderate GWP High GWP Extremely High GWP
Consumer Satisfaction vs. GWP
SLIDE 26
SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING GLOBALWARMING POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL
SLIDE 27 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2 SURVEY2– – – – – – – – OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION OZONEDEPLETION POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL POTENTIAL
Property Score vs. ODP
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 2 4 6 8 10 12 14 16 ODP (Rel. to CCl3F) Property Score
Property Score vs. Ozone Depletion Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No ODP Very Slight ODP Slight ODP Moderate ODP High ODP Extremely High ODP
Property Score vs. Ozone Depletion Potential
0.00 0.10 0.20 0.30 0.40 0.50 0.60 0.70 0.80 0.90 1.00 Property Score
No ODP Very Slight ODP Slight ODP Moderate ODP High ODP Extremely High ODP
Consumer Satisfaction vs. ODP
SLIDE 28 SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET SOLVINGFORTHEMARKET POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y) POTENTIAL(Y)
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SLIDE 29 CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD CENTRALAIR/HOUSEHOLD UNITS UNITS UNITS UNITS UNITS UNITS UNITS UNITS
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SLIDE 30 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005 AUTOMOBILESSOLDIN2005
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Number of cars purchased in 2005 (by country)
0.0 2.0 4.0 6.0 8.0 10.0 12.0 14.0 16.0 18.0 USA Japan China UK U n its in M illio n s
SLIDE 31 ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET ESTIMATINGTHEMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET POTENTIALOFTHEAUTOMARKET
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SLIDE 32 COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO COMPARINGTHISVALUETO DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHE DATAPROVIDEDBYTHEUNFCCC UNFCCC UNFCCC UNFCCC UNFCCC UNFCCC UNFCCC UNFCCC
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SLIDE 33
PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PRODUCTION&RELEASEDATA PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC PROVIDEDBYTHEUNFCCC
SLIDE 34
HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE HOLEINTHEOZONE
SLIDE 35
DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS DESIGNOFNEWREFRIGERANTS BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER BASEDONCONSUMER PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND PREFERENCEFUNCTIONSAND THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET THECHOSENMARKET
SLIDE 36 METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING METHODSFOREXAMINING REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS REFRIGERANTS
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SLIDE 37
DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP DISCUSSIONOFGROUP CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY
SLIDE 38 GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION THEORY THEORY THEORY THEORY THEORY THEORY THEORY THEORY
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SLIDE 39 MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF MOLECULEMADEOF FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS
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SLIDE 40 FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS FUNCTIONALGROUPS
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CH3 Sulfur Sulfur Groups Groups Nitrogen Nitrogen Groups Groups Oxygen Oxygen Groups Groups Halogen Halogen Groups Groups Cyclic Cyclic Groups Groups Acyclic Acyclic Groups Groups = represents a double bond, bonding site
- - represents a single bond, bonding site
R represents a ring bonding site
SLIDE 41
ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN ENUMERATIONMODELINGIN EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP EXCELUSINGGROUP CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY
SLIDE 42 ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. ENUMERATIONVS. OPTIMIZATION OPTIMIZATION OPTIMIZATION OPTIMIZATION OPTIMIZATION OPTIMIZATION OPTIMIZATION OPTIMIZATION
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SLIDE 43 WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION WHATISTHEENUMERATION METHOD? METHOD? METHOD? METHOD? METHOD? METHOD? METHOD? METHOD?
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1 2 CH2 nCH2= 012012012 >CH n>CH= 012012012012012012012012012 Iterationsfor3x3=27
SLIDE 44
VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE
SLIDE 45
VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE
SLIDE 46
VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE VBACODE
SLIDE 47 REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING REFRIGERANTMODELING
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SLIDE 48
FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM FLOWOFVARIABLESFROM GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION GROUPCONTRIBUTION THEORY THEORY THEORY THEORY THEORY THEORY THEORY THEORY
SLIDE 49 HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP HOWTOUSEGROUP CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY
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avg N i di p i avg N i ci p i avg N i bi p i N i ai p i a p
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= − = − = =
2 1 1
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= = N i N i ci i i i c
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= =
− + =
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T n T n T T
1 2 1
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SLIDE 50 THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC THERMODYNAMIC EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS
H>:0
:05( ;# '< '<
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− + − + + − + + =
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3 / 1
ω
( )
− − = ∆
br c br c vb
T P T T R H 930 . 013 . 1 ln * * * * 093 . 1
38 .
1 1 * − − ∆ = ∆
c b c evp vb ve
T T T T H H
SLIDE 51 PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS PRESSUREEQUATIONS
F
F0
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3 2
1 3 * 1 * ln
cndr cndr cndr cndr vpcr
T T k T T G P − + + − − =
( ) ( )( )
[ ]
3 2
1 3 * 1 * ln
evpr evpr evpr evpr vper
T T k T T G P − + + − − =
c vpcr vpc
P P P * =
c vper vpe
P P P * =
SLIDE 52 GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION GROUPCOMBINATION CONSTRAINTS CONSTRAINTS CONSTRAINTS CONSTRAINTS CONSTRAINTS CONSTRAINTS CONSTRAINTS CONSTRAINTS
/(
/5 & $ $ F F
SLIDE 53 STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY
)0 (& ( ( (
D D8 8:$ :$E E D D8 8:$ :$E E D DK: K:8 8 E E
(( 4%) 4%)
D D8 8:$ :$E E & &D D8 8" "E E 4%) 4%)
(((
( (
SLIDE 54 STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY STRUCTURALFEASIBILITY CON CON CON CON CON CON CON CON’ ’ ’ ’ ’ ’ ’ ’D D D D D D D D
% (((0
D DI: I:E E 3 3D DI4 I4E E 3 3D DI: I:E E & & D DII IIE E & &D DI4 I4E E
'*(0
D DI: I:E E D D8 8" "E E > >D DI: I:8 8E E
)0(0;<
)* D DKL KLE E 0+(&& 0+(&& >+&( >+&(D D8 8" "E E
SLIDE 55 MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE MOLECULARSIZE
' (
'* (2
. . '*( '*( (I= (I=. . 8 8: :8 8;"< ;"<=
=I2
I2 &(I1 &(I1. . : :$
$8
8;: ;:
<
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18
8: :$
$I2
I2 (I+ (I+. . ;:< ;:<+
+;"<
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1I
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4& * ( 9 9
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SLIDE 56 VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE VAPORPRESSURE
' 00 ( (
. .
'* 0 2( 2(
. . ' ( ' ( . . ' '8 8 ;(0< ;(0<
: (0
. . %0( %0(
SLIDE 57 “ “ “ “ “ “ “ “MAKING MAKING MAKING MAKING MAKING MAKING MAKING MAKING” ” ” ” ” ” ” ” AMOLECULE AMOLECULE AMOLECULE AMOLECULE AMOLECULE AMOLECULE AMOLECULE AMOLECULE
8
8" "I
I
8
8 I
I
KL
KLI
I
"
8
8 8 8 8 8 8 8:$ :$ :$ :$ :$ :$ :$ :$ I
I
8
8: :8 8 I
I
8
8:$ :$I$
I$
K:
K:8 8 I
I
8 8( (
8
8:$ :$I
I
K:
K:8 8 I
I
8
8: :8 8 I
I
8
84: 4:I
I
8 8( (
I:
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I
IL
ILI
I
8
84 48 8
I I
8
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MM
SLIDE 58 MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER MOLECULEMAKER
n= Pvpe FALSE Tavg K 294 sCH3 2 Pvpc FALSE Tevp K 272 sCH2s 2 heatcap TRUE 1 Tcnd K 317 ssCHs 2
ssCss
334.61 dCH2 Ynt true 1
499.73 dCHs
true 1
35.01 dCss connected true 1
0.131 dCd nofree true 1
rCH2r bond type true 1
0.588 rrCHr singlefree true 1
rrCrr double free true 1
drCHr triple free true 1
drCrr single cyclic free true 1
sF double cyclic fre true 1
sCl mixed true 1
45.325 sBr end cap false kJ/mol 29.502 sI real structure kJ/mol 33.335 sOH
sOs Yss 1
rOr Ydd
ssCO Ytt
rrCO Ysr
sCHO Ydr
0.533 sCOOH Yr
0.070 sCOOs Ysd
doO Yst sNH2 Yssr ssNH Ysdr rrNH Ydsr iterations ssNs Y0m 1 27 drNs Ym5 sCN Ym1 1 sNO2 Ym6 sSH Ym2 1 sSs Ym7 rSr Ym3 1 6 Ym8 Ym4 1 Ym9 Binary Variables Physical Constraints Thermodynamic Properties Structural Constraints
SLIDE 59 RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL RESULTSFROMEXCEL
$3@939+,(;@<
@+9
,@@(; 3((< 3((<
/&0( ( ( &* &*
5
SLIDE 60 β β VALUES VALUES VALUES VALUES VALUES VALUES VALUES VALUES
*>030β β (( ((
Chemical Formula H = Σxiyij
β = H2/H1 Rank
CH2=CH-F
0.61 1.39 2
CH3 -CH=CH2
0.61 1.39 4
CH2=CF2
0.51 1.68 8
CH2=CH-Cl
0.50 1.69 1
CH2=CFCl
0.49 1.75 3
CH2=C=CH-F
0.40 2.13 5
CH2=CH-O-F
0.40 2.14 6
CH2=CH-C(=O)-F
0.40 2.14 20
Cl2
0.40 2.15 7
F-Br
0.39 2.17 9
CH2=CCH3F
0.39 2.17 10
CH2=CH-CH2-F
0.39 2.18 11
CH2=C=CF2
0.39 2.18 12
CH2=C=C=C=O
0.39 2.19 13
FSH
0.39 2.19 14
CH2=C(-F)-O-F
0.39 2.19 15
FNH2
0.39 2.19 16
cyc(CH=CH-CH2)
0.39 2.19 17
cyc(CH=CH-O)
0.39 2.20 18
O=CH-Br
0.38 2.22 19
R134a
0.85 1.00
SLIDE 61 LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP LIMITATIONSOFGROUP CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY CONTRIBUTIONTHEORY
&
(;(;<
(;<8
8 (;<
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I$9=N
)*
$ $8 8 8 8 8 83 3
(IN
IN
8 8 8 8 8 3 * 3 *
(I199N
I199N ? ? +? +? @? @? 2,? 2,? ? ? 2+? 2+?
$@? $? $? +=? +=? * * ! !
(
)##4 )##4 # #
SLIDE 62 LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL LIMITATIONSOFFUNCTIONAL GROUPTHEORY GROUPTHEORY GROUPTHEORY GROUPTHEORY GROUPTHEORY GROUPTHEORY GROUPTHEORY GROUPTHEORY
)0&
!(& * *
SLIDE 63
RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS
SLIDE 64 RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS
0( #( #( 0( 0( *00 *00
H(> %(* %(*
6 ' ' (33 (33 0(( 0(( ( ( ( ( $ $ 0( 0(
SLIDE 65
RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS RECOMMENDATIONS
$ $ '( '( 0/ 0/ 0 3( 0 3( * * + + (& (& , , H( H(8 8 ( ( ((( ((( 5 5 &3 &3 (( ((
SLIDE 66
QUESTIONS? QUESTIONS? QUESTIONS? QUESTIONS? QUESTIONS? QUESTIONS? QUESTIONS? QUESTIONS?
SLIDE 67 WORKSCITED WORKSCITED WORKSCITED WORKSCITED WORKSCITED WORKSCITED WORKSCITED WORKSCITED
: G=G22= L LGG&&& G*(G G GG&&& G*(G G K K
722=:G!G )"(=322= )"(=322= L LGG&&& GGG+++=,G#OO GG&&& GGG+++=,G#OOK K
!"#$ $79322= 79322= )0 !79 )0 !79
322=
322= L LGG&&&0G5G@GG GG&&&0G5G@GG K K % % #&# #&# @ @
322@)0 !
322@)0 ! "(, "(,
322=
322= L LGG&&&0G5G@GG GG&&&0G5G@GG K K ' ' !#((% !#((%722+ 722+ /"( /"(
3
3 22=L 22=LGG*G2$$=G2122$+ GG*G2$$=G2122$+K K ) ) !$*+((' !$*+((' 22@ 22@ / :(0 / / :(0 / "( "(
322=
322= L LGG&&&0GG22@(G,2 GG&&&0GG22@(G,28 82, 2,K K , ,
.#$/,0//, #$/,0//, 7 7 +3222/ )"( +3222/ )"(
322=
322= L LGG&&&0G G (GGG GG&&&0G G (GGGOO OO K K
4
44 46 6373! 373! 7!'& 7!'&8 8:3%&B322;=1 :3%&B322;=18 819< 19<
SLIDE 68
APPENDIX APPENDIX APPENDIX APPENDIX APPENDIX APPENDIX APPENDIX APPENDIX
SLIDE 69 CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CREATINGMOREACCURATE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE CONSUMERPREFERENCE FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS FUNCTIONS
30(
0&
( 0 ( 0
SLIDE 70 MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC MORETHERMODYNAMIC EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS EQUATIONS
( )
6
* 169347 . ln * 28862 . 1 09648 . 6 013 . 1 ln 97214 . 5
br br br c
T T T P − + + − − = α
( )
6
* 43577 . ln * 4721 . 13 6875 . 15 2518 . 15
br br br
T T T + − − = β
β α ω =
( )
br c br
T P T h − = 1 013 . 1 ln *
h G * 4605 . 4835 . + =
( ) ( )( )
2
1 3 1
br br br
T T T G h k − + + − =
SLIDE 71 THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS THERMODYNAMICS
"(
8 8) ) 3( 3( ( (
∆:G :G
SLIDE 72
GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE
SLIDE 73
GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE
SLIDE 74
GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE
SLIDE 75
GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE GAMSCODE
SLIDE 76
SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN SYSTEMATICDESIGN
SLIDE 77 ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS ENVIRONMENTALEFFECTS
45
. . 40& 40& ( (
(&
. . #>* 0 #>* 0
) / exp(-3.858 * ) (n 0.05013 ODP
1.510 Cl
τ =
SLIDE 78 OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBTAININGVALUESFORTHE OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION OBJECTIVEFUNCTION
" ( *0 *0
. . & & *0 *0 . . 0 . . % %
*
. . * *
. "* "*
y = 176.5x - 29.778 R2 = 0.0351
5000 10000 15000 20000 25000 30000 35000 0.5 0.7 0.9 1.1 1.3 1.5 1.7 1.9 2.1 LEL (%) Vapor Pressure (mmHg)
Flash Point vs. LEL
Linear y = -66.281x + 68.752 R
2 = 0.4087
3rd Order Polynomial y = 50.242x3 - 231x2 + 275.14x - 92.641 R2 = 0.4151 6th Order Polynomial y = -1196.1x6 + 9953.1x5 - 34677x4 + 65066x3 - 69409x2 + 39657x - 9368.3 R
2 = 0.5702
20 40 0.5 1 1.5 2 2.5 LEL (%) Flash Point (
SLIDE 79 CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT MOLECULARWEIGHT
y = -0.0095x + 1.749 R2 = 0.9276
0.3 0.5 0.7 0.9 1.1 1.3 50 75 100 125 150 molecular wieght dH/Cp
average comparison
SLIDE 80 ∆ ∆ ∆ ∆ ∆ ∆ ∆ ∆H/C H/C H/C H/C H/C H/C H/C H/CP
P P P P P P P CORRELATIONWITH
CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH CORRELATIONWITH COP COP COP COP COP COP COP COP
Correlation of dH/Cp with COP 0.2 0.4 0.6 0.8 1 1.2 1.4 1.6 1.8 2 1 2 3 4 5 COP (PRO/II) dH/Cp dH/Cp
SLIDE 81 EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS
&C( (&4!& (&4!& (0 (0
" 37/3*&A D D0! 0! / / E E 564 564
++;222<=8 8+ +
" 37/3*&A D D0! 0! E E 5 5 64 64++;222<+$ ++;222<+$8 8,@ ,@
SLIDE 82 EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR EVALUATINGTHECOPFOR NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS NEWREFRIGERANTS
"& 3 &3&04! &3&04!
(0 4!( 4!(
&& ( (
( 5 5