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  3. mist-models/excess-properties

mist-models

excess-properties

Excess-property dataset for binary/ternary chemical mixtures — used to fine-tune MIST mixtures models on thermodynamic deviations from ideal mixing.

Original source
Rows
890,663
On disk
293 MB
Downloads
139

Last 30 days

Updated
Apr 27

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Column statistics

How the columns are distributed

Over 691,372 rows of default/train

Unnamed: 0

int
min
0
median
57,565
mean
57063.07
max
115k

density [gram / centimeter ** 3]

float

Splits

3
  • default/train
  • default/validation
  • default/test

Query support

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Provenance

Licence
apache-2.0
Likes
0

Fields

ChemistryMaterials Science
min
0.65
median
1.12
mean
1.13
max
2.40

20.5% empty

density1 [gram / centimeter ** 3]

float
min
0.65
median
1.02
mean
1.04
max
1.62

39.1% empty

density2 [gram / centimeter ** 3]

float
min
0.62
median
1.13
mean
1.13
max
1.83

37.4% empty

doi

string_label
  • 10.2298/jsc190413047v3%
  • 10.1016/j.fluid.2020.1126212%
  • 10.1021/acs.jced.7b002211%

electrical conductivity [siemens / meter]

float
min
0
median
0.92
mean
1.55
max
17.40

86.3% empty

excess density [gram / centimeter ** 3]

float
min
-0.28
median
0.02
mean
0.04
max
0.38

47.9% empty

excess electrical conductivity [siemens / meter]

float
min
-0.91
median
0.03
mean
0.40
max
10.51

97.5% empty

excess molar enthalpy [joule / mole]

float
min
-2,100
median
380.63
mean
390.46
max
1,505

97.7% empty

excess molar volume [centimeter ** 3 / mole]

float
min
-9.05
median
-0.15
mean
-0.29
max
8.98

46.6% empty

excess speed of sound [meter / second]

float
min
-144.61
median
9.55
mean
23.19
max
456.72

86.4% empty

excess thermal diffusivity [millimeter ** 2 / second]

float

No distribution reported for this column.

100.0% empty

excess viscosity [millipascal * second]

float
min
-16506.46
median
-4.38
mean
-70.09
max
697.08

72.1% empty

ideal density [gram / centimeter ** 3]

float
min
0.62
median
1.07
mean
1.08
max
1.83

43.2% empty

molar enthalpy [joule / mole]

float
min
-76
median
632
mean
871.31
max
4,932

99.9% empty

molar volume [centimeter ** 3 / mole]

float
min
17.94
median
137.12
mean
148.13
max
904.96

19.3% empty

molecular_mass1

float
min
18.02
median
96.94
mean
149.76
max
773.29

molecular_mass2

float
min
18.02
median
208.33
mean
214.25
max
773.29

name1

string_label
  • water11%
  • methanol5%
  • ethanol4%

name2

string_label
  • water7%
  • 1-ethyl-3-methylimidazolium ethyl sulfate4%
  • 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide3%

pressure [megapascal]

float
min
0.08
median
0.10
mean
0.10
max
0.12

smi1

string_label
  • O11%
  • CO5%
  • CCO4%

smi2

string_label
  • O7%
  • CCOS(=O)(=O)[O-].CC[n+]1ccn(C)c14%
  • CCCC[n+]1ccn(C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F3%

speed of sound [meter / second]

float
min
765.10
median
1453.20
mean
1441.57
max
2242.50

80.5% empty

temperature [kelvin]

float
min
218.15
median
308.15
mean
311.39
max
571.10

thermal diffusivity [millimeter ** 2 / second]

float

No distribution reported for this column.

100.0% empty

viscosity [millipascal * second]

float
min
0.04
median
17.35
mean
396.77
max
13M

56.5% empty

x1

float
min
0
median
0.50
mean
0.51
max
1

x2

float
min
0
median
0.50
mean
0.49
max
1