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And now for the moment for which you’ve all been waiting…
But first the round-robin results
• Entries are labeled 1 to 4 and don’t correspond to the order of today’s talks
• Values labeled J. Moore are unpublished from 2002 and are interpolated between 363 and 383 K
• One entry is omitted because it’s robin-robin results are shared with another entry
• Entries are compared in terms of percent deviation from the benchmark for each property
• Not necessarily looking for low deviations here but rather for consistency between the different entries
Round Robin - Category 1
-80
-60
-40
-20
0
20
40
60
80
100
120
sat. liq.dens.
sat. vap.dens.
2nd virialcoeff.
vapor P DHvap normalbp
crit.dens.
crit. T
% d
evia
tio
n f
rom
ben
chm
ark
Entry 1
Entry 2
Entry 3
Entry 4
J. Moore (2002)
Round Robin - Category 2
-100
-80
-60
-40
-20
0
20
40
60
80
100
sat liq Cp sat vapor Cp sat liqcompressibility
sat vaporcompressibility
surf tension
% d
evia
tio
n f
rom
ben
chm
ark
Entry 1
Entry 2
Entry 3
Entry 4
Round Robin - Category 3
-120
-100
-80
-60
-40
-20
0
20
40
60
80
liq visc vapor visc liq thermal cond vap thermal cond
% d
evia
tio
n f
rom
ben
chm
ark
Entry 1
Entry 2
Entry 3
Entry 4
Summary
• Generally good consistency between properties calculated by the different groups
• Next, a comparison of the new models
• Remember, 100 points available in each category plus 50 bonus points if you score > 0 in all three categories
New Models - Category 1
-40
-20
0
20
40
60
80
100
120
sat. liq.dens.
sat.vap.
dens.
2ndvirialcoeff.
vapor P DHvap normalbp
crit.dens.
crit. T
% d
evia
tio
n f
rom
ben
chm
arks
Entry 1
Entry 2
Entry 3
Entry 4
Entry 5
J. Moore UA
J. Moore AA
New Models - Category 2
-100
-80
-60
-40
-20
0
20
40
60
80
100
sat. liq. dens. sat. vap.dens.
2nd virialcoeff.
vapor P DHvap
% d
evia
tio
n f
rom
ben
chm
arks
Entry 1
Entry 2
Entry 3
Entry 4
Entry 5
New Models - Category 3
-300
-250
-200
-150
-100
-50
0
50
liq visc vapor visc liq thermal cond vap thermal cond
% d
evia
tio
n f
rom
ben
chm
arks
Entry 1
Entry 2
Entry 3
Entry 5
• And now for the announcement the ranking, beginning with 5th place
Honorable Mention(5th place - $200)
• Thomas Müller, Sudip Roy, Wei Zhao, Florian Müller-Plathe, Astrid Maaß, and Dirk Reith Technical University of Darmstadt and the Fraunhofer Institute for Scientific Computing and Algorithms
• Performed calculations in all 3 categories
Honorable Mention(4th place - $500)
• MaryBeth H. Ketko, Jake Rafferty, J. Ilja Siepmann and Jeffrey J. Potoff Wayne State University and University of Minnesota
• Didn’t attempt category 3, but had the highest score for categories 1 + 2
Honorable Mention(3rd place - $1200)
• XiaoFeng Li, Lifeng Zhao, Tao Cheng, Lianchi Liu, and Huai Sun Shanghai Jiao Tong University
• Only 7 points behind 2nd place
Honorable Mention(2nd place - $1500)
• Jake. L. Rafferty, Neeraj Rai, Manish S. Kelkar, J. Ilja Siepmann, Edward J. Maginn University of Minnesota and University of Notre Dame
• Somewhat better performance for Category 3 made the difference between 2nd and 3rd place
4th IFPSC Champions($2000)
• Bernhard Eckl, Jadran Vrabec, and Hans Hasse Universitat Stuttgart
• Scored 331 out of a possible 350 points
• Congratulations and thanks to all participants and expert judges!!!
