NIMS Materials Database (MatNavi) - Polymer Database (PoLyInfo) - PoLyInfo Help - Polymer

Polymer	[Japanese]
Polymer CRU/CU Polymer dictionary [CU, Sample] Polymer ID Sample ID Polymer name Representative name of Polymer Polymer classification CU chemical formula & formula weight Copolymer sub-class Shape and constructional feature Feature on characteristic Additive etc. [First order & High order structure] First order structure Average molecular weight Degree of polymerization Solution viscosity Melt flow rate Solvent /non-solvent Crystal information Processing information [Property] Property Property item list
Polymer In PoLyInfo, information on Polymer is caught at three following levels and arranged. 1. Constitutional repeating unit (CRU) / Constituional unit(CU) Level by which Polymer as molecule is discerned from the unit of chemical structure that composes it. It is especially said, "Constitutional repeating unit (CRU)" for a regular polymer. 2. Polymer chain / Polymer molecule Level by which one Polymer molecule is discerned as a connected body of a lot of constitutional units (CU) /constituional repeating units (CRU). 3. Polymeric material Level of material as set of Polymer chain/Polymer molecule. It uses when saying ..word "Polymer".. the whole in the homepage and Help of PoLyInfo these, and the corresponding term of 1.-3. when of each is distinguished is used. Moreover, 2. and 3. are matched in 1. and the meaning to make it compare, and it is called, "Polymer sample".
Constitutional repeating unit (CRU) / Constitutional unit (CU) constitutional repeating unit (CRU) (in polymers) The smallest constitutional unit the repetition of which constitutes a regular macromolecule, a regular oligomer molecule, a regular block or a regular chain. 1996, 68, 2291 constitutional unit An atom or group of atoms (with pendant atoms or groups, if any) comprising a part of the essential structure of a macromolecule, an oligomer molecule, a block or a chain.   In PoLyInfo, the unit of the chemical structure that can describe Polymer chain is called "Constitutional repeating unit/constituional unit". "Constitutional repeating unit (CRU)" means a minimum unit of chemical structures that can describe the polymer chain that excludes the end radical and the joint part by the repetition in the word used only in case of a regular linear polymer. "Constitutional unit (CU)" means the unit of a constant chemical structure that can describe polymer chain/polymer molecule by the repetition and the combination in the word used regardless of the kind of Polymer, which contain the end radical and the joint part. Constitutional repeating unit (CRU) / Constituional unit (CU) is targeted in discernment and identification in the polymer dictionary in PoLyInfo. Moreover, it expresses it bringing these together in the word of "Constitutional unit" or "CU".
Polymer dictionary Polymer dictionary Polymer dictionary is a compound registry system only for polymer developed by PoLyInfo. Identification of the chemical structure is done based on the chemical structure of constituional repeating unit (CRU). It is identified, by the function of the polymer dictionary based on the chemical structure of the constituional unit, and an original identification number (Polymer ID) is given to Polymer collected in PoLyInfo. The following item that can be decided from the chemical structure of the constituional unit is collected in the polymer dictionary. Polymer ID Polymer names (Excluding the material name) Polymer class CU chemical formula and formula weight The following item of each sample that adopts data used to identify the polymer is collected. First order structure information Average molecular weight Degree of polymerization Component and composition Moreover, information on the monomers that are the raw material of the polymer is related to the polymer dictionary, and collected in monomer information. Reference document concerning polymer dictionary The 21th informationization study round-table discussion lecture summary collection, 82(1998) Reference document concerning whole of PoLyInfo Informatics symposium lecture thesis collection in 2000, 41(2000) Compound registry system Compound registry system is a computer system that identifies the compound. Centering on the chemical structure data expressed with the form of computer readable, data, such as various kinds of names and a molecular formula, is matched and recorded. Since discernment and identification of the data recorded are done based on chemical structure and it is managed unitary, it can prevent duplicated registration of the same compound. Moreover, the user can search the specified compound from either the name or the chemical structure by using the compound registry system. There are typical compound registry systems by Chemical Abstracts Service(CAS) and a Japanese compound dictionary system by JST, etc.
[CU, Sample] Polymer ID Unique management number given after polymer is identified by function of polymer dictionary based on chemical structure of constituional unit. Polymer ID is made in the form of abbreviation P that show Polymer + of six digits numerical value (ex. P150045). Sample ID Data identification number of each Polymer sample. This number is truly unique in PoLyInfo.The number is shown as a reference number and a polymer sequence number in the reference. Polymer names Because data is arranged at constituional unit (CU) level and polymeric material (sample) level in PoLyInfo, the names are shown as the CU name and the material name, and the following Polymer names of the kind of are collected. The polymers are named in accordance with the IUPAC nomenclature rules or recommendations. 1. Polymer name Structure based name Because data is arranged at constituional unit (CU) level and polymeric material (sample) level in PoLyInfo, the names are shown as the CU name and the material name, and the following Polymer names of the kind of are collected. The polymers are named in accordance with the IUPAC nomenclature rules or recommendations. ex.) PET: -O-(CH2)2-O-CO-{pC6}-CO- poly(oxyethyleneoxyterephthaloyl) PMMA: -CH(CH3)(COOCH3)-CH2- poly(1-methoxycarbonyl-1-methylethylene) Source based name Name based on raw material (monomer) used for polymerization. The monomer name is described after prefix poly directly(one word name), or enclosed in curves, square brackets, or braces. The monomer names used are in accordance with the organic compound nomenclature of IUPAC 93. ex.) poly(ethylene terephthalate), poly(methyl methacrylate) Trivial name The name that clearly corresponds to a specific chemical structure is collected as a trivial name by the name used in general excluding the structure-based name and the source-based name. However, the trivial name to which the chemical structure cannot be fixed is collected to the generic name. ex.) nylon 6,6, polyacetaldehyde Abbreviation Brief expression to structure-based name, source-based name, and CRU/CU trivial names. For instance, it is abbreviation that "Poly styrene" places the initial of the name in a line like "PS" and is named. ex.) PET, PMMA Generic name Name expressed bringing polymer with common unit of composition (repetition) together. It is the one that the Polymer classification specified with JST was subdivided further. ex.) teflon, polyarylate 2. Material name Trade Name Name of polymeric material sold as material. When the brand name is shown in the document etc. , the one with a clear range of Polymer that corresponds adopts this. The sign that shows that it is a trademark such as NameTM (registration) is not included in the name. ex.) Sumikathene, Akulon Generic Name In the name that catches features of the structure and property etc. of the polymeric material, it is name corresponding to the two or more kind of polymeric material. ex.) liquid crystalline polymer Trivial Name Name that catches polymeric material, Polymer set, and features of structure and property etc. of Polymer chain and the brief expression. The one corresponding to specific and the unit and making clear the composition (repetition) is adopted. ex.) high density polyethylene, it-PS Representative name of polymer Although there are various kinds of polymer names, such as a structure-based name, a source-based name, and a trivial name, the name considered to be used best in it is made into the "polymer representation name." Which name is representative Polymer name has been selected in the following order from among the name (name given to constituional unit (CU)) that differs in each Polymer, and is registered in the polymer dictionary. 1. Source-based name (However, the trivial name of the nylon is assumed to be representative Polymer name by priority when there is a source-based name.) 2. Trivial name 3. Structure-based name Polymer classification The polymers are classified into 22 kinds based on the chemical structure of constituional unit (CU) of polymer as follows. "Aliphatic hydrocarbon" and "Aromatic ring" under Definition have reflected the content shown in the following. Aliphatic hydrocarbon acyclic hydrocarbons and cyclic hydrocarbons except aromatic series( the unsaturated bond can be included. ) Aromatic ring Aromatic polycyclic hydrocarbons (example naphthalene), aromatic heterocycles (example pyridine), and these substituent groups. Polymer classification 01. Polyacrylics A polymer that consists of the aliphatic hydrocarbon radical, and at least one of radicals shown in the following is directly connected to the main chain carbon. (The main chain carbon is shown as *, and there is no limitation as part #. ) [Remarks] The carbon atom of a main chain of prefered constituional unit (CU) is not limited. (Do not limit the carbon atom of a main chain as two. ) There can be two radicals or more that characterize polyacrylics. Polymer classified into Polyacrylics is classified into Polyvinyls at the same time. It is likely to be classified by the structure at the same time with Polystyrenes. 02. Polyamides / thioamides Polymer including the following partial structures on main chain. (X shows either of O or S. ) ex.) The following one exists as an example of a partial structure like the above-mentioned. However, exclude the following cases. > N-CO - etc. of Polyurethanes / thiourethanes> N-CO-O- > N-CO in Polyureas/thioureas > N-CO-N <- etc. > N-CO of Polyimides/thioimides -CO-N-CO-- etc. 03. Polyanhydrides / thioanhydrides Polymer including partial structures the following on main chain. (Xi shows either of O or S. ) 04. Polycarbonates / thiocarbonates Polymer including partial structures the following on main chain. (Xi shows either of O or S. ) 05. Polydienes Polymer that consists of aliphatic hydrocarbon radical and halogen, and has double bond C=C or one or more triple bonds C≡C on main chain and/or on side chain. (one that contains one or more unsaturated aliphatic hydrocarbon radicals) [Remarks] Polymer including the saturated and/or unsaturated aliphatic cyclic hydrocarbon radical is included here. The one without the aromatic ring is included. The one including triple bond C≡C is also included. 06. Polyesters / thioesters Polymer including partial structures the following on main chain. (Xi shows either of O or S. ) However, exclude the following cases. - CO-O- etc. of Polyurethanes/thiourethanes > N-CO-O- - CO-O- etc. of Polyanhydrides/thioanhydrides -CO-O-CO- - CO-O- etc. of Polycarbonates/thiocarbonates -O-CO-O- 07. Polyhalo-olefins Polymer (Polyolefins) composed only of saturated aliphatic hydrocarbon radical, from which at least one among hydrogens is substituted for halogen. [Remarks] When the halogen atom is not directly connected to the main chain carbon, it is included here. When the halogen is directly connected to the main chain carbon, it is likely to be classified into not only Polyhalo-olefins but also Polyvinyls. 08. Polyimides / thioimides Polymer including partial structures the following on main chain. (Xi shows either of O or S. ) ex.) The following one exists as an example of a partial structure like the above-mentioned. 09. Polyimines Polymer including partial structures the following on main chain. ex.) The following one exists as an example of a partial structure like the above-mentioned. However, exclude the following cases. -N< etc. in Polyamides/thioamides -CO-N< -N< etc. in Polyurethanes/thiourethanes >N-CO-O- -N ..-..< in Polyureas/thioureas >N-CO-N < etc. -N< etc. in Polyimides/thioimides -CO-N-CO- -N< etc. in Polysulfones/sulfoxides/sulfonates/sulfoamides -SO2-N< 10. Polyketones / thioketones Polymer including partial structures the following on main chain. (X shows either of O or S. ) However, exclude the following cases. - CO- etc. in Polyesters/thioesters -CO-O- - CO- etc. in Polyamides/thioamides -CO-N < - CO- etc. in Polyurethanes/thiourethanes >N-CO-O- - CO- etc. in Polyureas/thioureas >N-CO-N< - CO- etc. in Polyimides/thioimides -CO-N-CO- - CO- etc. in Polyanhydrides/thioanhydrides -CO-O-CO- - CO- etc. in Polycarbonates/thiocarbonates -O-CO-O- 11. Polyolefins Polymer composed only of saturated aliphatic hydrocarbon radical. [Remarks] The one including the unsaturated carbon bond is not included here. 12. Polyoxides / ethers/acetals Polymer contains -O- and/or ring structure including -O- on the main chan. ex.) The followings are examples of partial structures of above-mentioned polymers. However, exclude the following cases. -O- etc. in Polyesters/thioesters -CO-O- -O- etc. of Polyurethanes/thiourethanes >N-CO-O- -O- etc. of Polyanhydrides/thioanhydrides -CO-O-CO- -O- etc. of Polycarbonates/thiocarbonates -O-CO-O- -O- etc. of Polysulfones/sulfoxides/sulfonates/sulfoamides -SO2-O- [Remarks] When -O- that is adjacent to Si on a main chain is contained, it is considered SiO of the siloxane radical, and doesn't consider O - that characterizes Polyoxides . 13. Polyphenylenes Polymer including partial structures the following on main chain. (X shows either of O or S.) 14. Polyphosphazenes Polymer including phosphazene P=N-structures the following on main chain. 15. Polysiloxanes / silanes Polymer including partial structures the following on main chain. 16. Polystyrenes Polymer that consists of the aliphatic hydrocarbon radical, and the aromatic ring is directly connected to at least one of the main chain carbon inside. [Remarks] Because the carbon atoms of a main chain of constituional unit (CU) is not limited to two, following polymer is included here. Polymer classified into Polystyrenes is classified into Polyvinyls at the same time. 17. Polysulfides Polymer containing -S- or the ring structure including -S- on a main chain. ex.) The following one exists as an example of a partial structure like the above-mentioned. However, exclude the case where it is included in the atomic group where these partial structures characterize Polymer the following-affiliated. - S- etc. of Polyester/thioester -CO-S- - S- etc. of Polyurethanes/thiourethanes > N-CO-S- - S- etc. of Polyanhydrides/thioanhydrides -CO-S-CO- - S- etc. of Polycarbonates/thiocarbonates -O-CO-S- [Remarks] S at both ends of Si in a main chain is considered to be S of Polysulfides. When the following partial structures are included, it is classified into Polysulfides and Polyimides. 18. Polysulfones / sulfoxides / sulfonates / sulfoamides Polymer including oxidation sulfur structures the following on main chain. [Remarks] The above-mentioned structure includes it partially here of the ring structure. 19. Polyurethanes / thiourethanes Polymer including partial structures the following on main chain. (Xi shows either of O or S.) 20. Polyureas / thioureas Polymer including partial structures the following on main chain. (X shows either of O or S.) ex.) The following one exists as an example of a partial structure like the above-mentioned. 21. Polyvinyls A main chain consists only of the aliphatic hydrocarbon radical, and is polymer including either of the following in the side chain. Aromatic ring Radical that contains hetero atom (atoms other than C and H) and hetero atoms. However, when the halogen is contained as a hetero atom, it is limited to the one of the following shape, and the one to take other bond forms is classified only into Polyhalo-olefins.    X = F, Cl, Br, I [Remarks] The carbon atom of a main chain of prefered constituional unit (CU) is not limited. (Do not limit the carbon atom of a main chain as two. ) Polymer classified into Polystyrenes and Polyacrylics is classified into Polyvinyls at the same time. Polyvinyls is not classified at the same time with Polyolefins and/or Polydienes. When double bond C=C and triple bond CC are included in a main chain, it is classified into here. 22. Other polymers The following one exists as an example of a partial structure like the above-mentioned. CU chemical formula & formula weight Chemical formula of constituional unit (CU) of polymer. The carbon and hydrogen are previously described and other elements are alphabetical orders. Moreover, the sum total of the atomic weight of each atom shown in CU chemical formula is called the amount of the expression. ex.) Constitutional unit (CU) chemical structure Chemical formula: C16H8Cl2F4O3 Formula weight: 395.14
First order & High order structure First order structure In PoLyInfo, the data of the following item is adopted as a first order structure. The first order structure in PoLyInfo is a information when the Polymer chain is seen within the range that is bigger than the unit of the composition (repetition) targeted by the polymer dictionary, End radicals other than constitutional unit (CU) and information on chemical structure in joint part. The arrangement of two or more constitutional unit(CU) and information on chain. It collects when the description is in the document of each sample that adopts data assumed to be a data source about which item. Stereoregularity Qualitative, quantitative, structural information on the tactisity and the geometrical isomerism are collected. Isotactic, syndiotactic, and atactic are abbreviated with it-, st-, and at-. Trans-1,4-, cis-1,4- and 1,2- of polydiene are also collected to the stereoregularity. Quantitative information is described in order of the content (item) and measured values and the measuring method. ex.1) it-, pentad 0.985 by 13C-NMR ex.2) 1,4-cis 44%, 1,4-trans 42%, 1,2- 14% by IR Stereo arrangement of R/S and D/L is collected here when it is information for the chain of the constitutional unit. End-group and branch point (junction point) The kind and the name are collected as information on the end radical and the joint part. The kind: The following is specified. 　1. End group 　2. Branching part 　3. Junction part 　4. Central part of star polymer The name: The name of the end radical and the joint part as the description in the document is collected. Other first-order structures First order structures other than the above-mentioned are collected. Moreover, information etc. are collected here concerning the optical isomer in constitutional unit (CU). The reason for this is that the polymer dictionary has been excluded the optical isomer. Average molecular weight Five kinds of the following are adopted as a Average molecular weight in PoLyInfo. Number-average molecular weight (Mn) Weight-average molecular weight (Mw) z-average molecular weight (Mz) Viscosity-average molecular weight (Mv) GPC (SEC) peak molecular weight (Mp) The following of the measuring method is specified. Gel permeation chromatography (GPC) Size-exclusion chromatography (SEC) Osmometry (Membrane osmometry) Vapor pressure osmometry (VPO) Cryoscopy Ebullioscopy Light scattering method (LS) Viscosity Others Degree of polymerizaition (DP) Number of each monomers contained in one Polymer chain/Polymer molecule. The measuring method, the measurement standard, and the measurement condition are the same as the average molecular weight. Solution viscosity The data of the following item is gathered as a value that becomes the standard of molecular weight. Refer to a pertinent paragraph of the Propertiy item for Intrinsic viscosity [eta] eta inh Reduced viscosity Specific viscosity (Relative viscosity increment), etc. Melt flow rate (MFR) Amount of thermoplastic material pushed out under specific examination condition in fixed time.   [Synonym] Melt flow index (MFI) Melt index (MI) Solvent / Non-solvent It is used respectively in the following meaning in PoLyInfo. Solvent: The solvent in which the polymer is soluble. Non-solvent: The solvent in which the polymer is not soluble. Crystallographic information In PoLyInfo, the following information is adopted as information on the crystal of the Polymer sample that adopts data. Crystallinity (degree of crystallization) Orientation Crystal type Crystal structural information Processing information In PoLyInfo, the following information is collected on the molding method and state after it molds as information on the Polymer sample that adopts data. [Molding method] The following is specified. Solvent casting Compression Blow (bottole) Extrusion Spinning Injection Calender (Roll) Spin casting (Spin coating) Blown film (Inflation film) Content shown in data sources other than the above-mentioned Molding conditions The temperature, pressure, time, and the solvent, etc. are collected. [Treating method] The following is specified. Annealing Quenching Stretching Crystallization As polymerized As received Thermal treatment Conditioning Content shown in data sources other than the above-mentioned Treating condition The temperature, time, and the environment, etc. are collected. ex.) (quenching) from the melt into ice water, (stretching) x5, RT, N2, (annealing) 70C, 5h, in vacuo [Sample shape] The following is specified. Film Sheet Powder Pellet Fiber Block Single crystal Solution Disk Cylinder Plate Bar Bulk Content shown in data sources other than the above-mentioned [Remarks] Other information on molding and shape is described. Information on the size of the molded sample is described here. (The thickness of film and sheet, and the diameter of the fiber etc. are indicated.) [State after molding] The following is specified for a state after molding. Crystal Amorphous Content shown in data sources other than the above-mentioned Crystalline and Semi-crystalline is being classified into Crystal when Tm is observed.
[Property] Property property shown in the Property item list are collected in PoLyInfo. When the property name of the property item list is clicked, the following explanation is shown about itself. [Property item] Definition and the explanation of property are shown. property enumerated here are possible to be specified on "Polymer List". [Unit] The unit of property is displayed. Adopted unit Other units SI unit [Measuring method] The typical one of the measuring method is enumerated. The measuring method not listed here is collected if cited in the literature. [Measurement standard] The main measurement standards are enumerated. The measurement standard not listed here is collected if cited in the literature. [Measurement condition] Indispensable measurement conditions are shown in measuring the property. As a typical thing, there is temperature in the case of property with temperature dependncy, heating and cooling rate in thermal character, and frequency in the dynamic measurement etc. Also on the measurement conditions which are not shown here, if described by the source of data, it will be recorded. When itself is measured, an indispensable measurement condition is shown. There are heating rate in a temperature and a thermal character for property with the temperature dependency and a frequency in cooling rate and the dynamic measurement, etc. assuming that it is typical. [Notes] Notes on each property item are shown. [Related term] It explains a synonym and a related word. [Related information] Accompanying item obtained at the measurement of itself is shown. They are collected as much as possible if these information accompanies the measurement data and it is described in the data source. It shows in order referring in the round bracket when referring to definition and the descriptions of < note > IUPAC, ISO・JIS, and other dictionaries, etc. Property item list Physical property Density Specific volume Optical property Refractive index Stress-optical coefficient Thermal property Crystallization kinetics * Crystallization temperature Glass transition temperature Heat of crystallization Heat of fusion Thermal decomposition temperature * LC phase transition temperature Linear expansion coefficient Melting temperature Specific heat capacity (Cp) Specific heat capacity (Cv) Thermal conductivity Thermal diffusivity Volume expansion coefficient Electrical property Dielectric breakdown voltage Dielectric constant (DC) Dielectric dispersion * Electric conductivity Surface resistivity Volume resistivity Physicochemical property Cohesive energy density Gas diffusion coefficient (D) Gas permeability coefficient (P) Gas solubility coefficient (S) Hansen parameter (delta-d: dispersion component) Hansen parameter (delta-h: hydrogen bonding) Hansen parameter (delta-p: polar) Interfacial tension Solubility parameter Surface tension Water absorption Water vapor transmission Dilute solution property Diffusion coefficient Good solvent * Intrinsic viscosity [eta] Non-solvent * Poor solvent * Radius of gyration Second virial coefficient Sedimentation coefficient Solvent * Theta-solvent/Theta-temperature * Rheological property Dynamic viscosity * Melt viscosity Tensile property Dynamic tensile properties * Elongation at break Elongation at yield Fiber tensile elongation at break Fiber tensile modulus Fiber tensile stress (strength)at break Tensile modulus Tensile stress (strength)at break Tensile stress (strength)at yield Shear property Dynamic shear properties * Shear modulus Shear stress (strength)at break Shear stress (strength)at yield Flexural property Dynamic flexural properties * Flexural modulus Flexural stress (strength)at break Flexural stress (strength)at yield Compression characteristic Compressive modulus Compressive stress (strength)at break Compressive stress (strength)at yield Dynamic compressive properties * Creep characteristic Compressive creep rupture strength Compressive creep rupture time Compressive creep strain Flexural creep rupture strength Flexural creep rupture time Flexural creep strain Tensile creep compliance Tensile creep modulus Tensile creep recovery Tensile creep rupture strength Tensile creep rupture time Tensile creep strain Heat characteristic Brittleness temperature Deflection temperature under load (HDT) Softening temperature Vicat softening temperature Impact strength Charpy impact Izod impact Hardness Rockwell hardness Shore hardness Heat resistance and Combustion Oxygen index UL Flammability code rating * UL temperature index * Other property Bulk modulus * Compressibility G value * PVT relation * Radiation resistance *