Constituent
Name
TEST CONST BASIC
Official name
FULL solid
Family
molecular solid
Class
non polar molecular solid
Compound type
homopolymer
Comments
natural istopic composition, but possible fractionation
The polymer has up to 7 500 000 monomers units and different branching degrees. It is classified according to its density and branching: very-low-density polyethylene (VLDPE), low-density polyethylene (LDPE), Linear low-density polyethylene (LLDPE), medium-density polyethylene (MDPE), Cross-linked polyethylene (PEX or XLPE), High-density cross-linked polyethylene (HDXLPE), high-density polyethylene (HDPE), Ultra-low-molecular-weight polyethylene (ULMWPE or PE-WAX), High-molecular-weight polyethylene (HMWPE), and ultra-high-molecular-weight polyethylene (UHMWPE) - comments solid variable
Relevance
impurity
Arrangement
single phase
Mass fraction
1.0
Mole
99.0 $\pm$ 0.99 $mol$
Mole fraction
1.0 $\pm$ 0.0001
Abundance comments
H2O (0.5 ppm in crystal) and CO2 (0.7 ppm in crystal) impurity in SO2 gas and adsorbed - to be quantified in film
Monomer arrangement
alternating copolymer
Terminal function
$CH_3$
Monomer number
999
Molar mass
999 $g/mol$
Polymolecularity index
0.999
Crystallinity degree
0.99
Comments
no well crytallized - comment polymer
Formula
ICE2
Chemical formula
ICE2
Elemental formula
(2H)4006-4404 (H)14-604 (Vo)10-500 (16O)3996-4000
Isotope mixture type
partly substituted
  Formula Name Family Number min-max Mole fraction Isotope mole fraction State Relevance
L-$(COOH)CH_2CHOH(COOH)$ FULL molecule molecule 2 - 100 0.04465810281871437 $\pm$ 0.042906804668960866 1.0 pure main
$^2H$ or $D$ Full Isotope element 2 - 4 0.0013134736123151286 $\pm$ 0.0004378245374383762 0.5 clathrate network substituted
$H$ Full Natural element 2 - 4 0.0013134736123151286 $\pm$ 0.0004378245374383762 0.5 clathrate network substituted
L-$(COOH)CH_2CHOH(COOH)$ FULL molecule molecule 99 - 100 0.08625581212073449 $\pm$ 0.00043344629206399244 0.99 unknown impurity
R-$(COOH)_2CHOSF2$ TEST molecule molecule 999 - 1000 0.8664591378359209 $\pm$ 0.00043344629206399244 0.99 anionic radical main
Composition comments
The formula is n repeting units + 2 $-CH_3$ terminal functions - comp var comment
Chemical functions
  Function Number Relevance
$R-CH2-OH$ 99
$R-CH2-OH$ 3 main
$R-C(=O)-R$ 1 main
R-V=R 2 main
$R-CH2-OH$ 3 impurity
$R-C(=O)-R$ 1 impurity
R-V=R 2 impurity
$R-C(=O)-R$ 1 main
Chemical bonds
  Bond Number Relevance
$-C \leq H_3$ n+1
$=C=O$ 6
$-C \leq H_3$ 3 main
$=C=O$ 2 main
>V=V< 1 main
$-C \leq H_3$ 3 impurity
$=C=O$ 2 impurity
>V=V< 1 impurity
$=C=O$ 2 main
Oxides
Formula $As_{2}O_{3}$ $U_{3}O_{8}$ $VO_{2}$
Mass fraction (%) 25.0 25.0 50.0
Oxides comments
très oxydé - comments oxides
Class
molecular solids with apolar molecules (01)
Type
with polyatomic organic apolar molecules (CnHm...) (01.06)
Code
04.02.03.07
Phase name
ICE VAR
Phase type
amorphous
Crystal system
amorphous
Crystal class
N/A
Crystal class symbol
N/A
Crystal spacegroup
N/A
Polytype
ice tordue (vraiment tordue)
Crystal sites
Label Type Nb Wp Species Species coordinence Species occupancy Species oxidation state
ICE unknown 99 99u99  L-$(COOH)CH_2CHOH(COOH)$ trigonal bipyramidal V 99.0 99
 $H$ unknown 1.0 1
Crystal molecule sites
Label Type Nb Species Species coordinence Species occupancy Species order
cage 5-12_6-4 substitutional 99  L-$(COOH)CH_2CHOH(COOH)$ pentagonal dodecahedron XX 0.99 fixed position
 R-$(COOH)_2CHOSF2$ hexagonal truncated trapezohedron XXIV 0.75 orientationaly disordered
cage 5-12_6-8 topological defect 6  L-$(COOH)CH_2CHOH(COOH)$ hexadecahedron XXVIII 0.099 unknown
 R-$(COOH)_2CHOSF2$ trigonal prismatic square face bicapped VIII 0.099 rotating
Composition order
partly ordered
Comments
crystal comments - crystal comments
Texture
polycrystalline
Sizes
Crystals Min Max Median Width Mass fraction Shape
#1 0.0 ${\mu}m$ 20.0 ${\mu}m$ 9.0 ${\mu}m$ 2.0 ${\mu}m$ 0.22 $\pm$ 0.05 rhombohedral
#2 20.0 ${\mu}m$ 50.0 ${\mu}m$ 25.0 ${\mu}m$ 12.0 ${\mu}m$ 0.2 $\pm$ 0.02 acicular
#3 50.0 ${\mu}m$ 150.0 ${\mu}m$ 60.0 ${\mu}m$ 35.0 ${\mu}m$ 0.25 $\pm$ 0.025 acicular
Size distribution
heterogeneous
Size method
microscope
Molar mass
99 $g/mol$
Density
0.99 $g/cm^3$
Refringence type
biaxial
Refringence sign
positive
Birefringence
0.999
Refraction index $n_{\alpha}$
1.999
Refraction index $n_{\beta}$
2.999
Refraction index $n_{\gamma}$
3.999
Dispersion V
weak
Color
green
Diaphaneity
transparent to opaque
Luster
metallic