A Simple Method for Estimating the Solubility Parameter of Small Molecules and Polymeric Materials View Full Text


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2021-01

AUTHORS

A. M. Gyulmaliev, L. A. Zekel’, A. U. Dandaev, A. E. Batov, M. Kh. Kadieva, E. E. Magomadov, Kh. M. Kadiev

ABSTRACT

The study relates to the problem of selecting a solvent for organic polymers during their chemical processing. Based on the method of Askadsky, simple schemes were proposed for calculating the solubility parameter of small molecules and polymeric materials using the structural elements of molecules. On the example of small molecules and polymers it was shown that the constructed methods are not inferior in accuracy to methods of Askadsky, Small, and Van Krevelen. The proposed schemes make it possible to calculate the solubility parameter and find acceptable solvents for a polymer material with a known value of the solubility parameter. The schemes were tested on specific examples and the possibility of their application for the selection of a solvent was demonstrated. More... »

PAGES

51-59

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1070427221010080

DOI

http://dx.doi.org/10.1134/s1070427221010080

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1136303199


Indexing Status Check whether this publication has been indexed by Scopus and Web Of Science using the SN Indexing Status Tool
Incoming Citations Browse incoming citations for this publication using opencitations.net

JSON-LD is the canonical representation for SciGraph data.

TIP: You can open this SciGraph record using an external JSON-LD service: JSON-LD Playground Google SDTT

[
  {
    "@context": "https://springernature.github.io/scigraph/jsonld/sgcontext.json", 
    "about": [
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/03", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Chemical Sciences", 
        "type": "DefinedTerm"
      }, 
      {
        "id": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/0303", 
        "inDefinedTermSet": "http://purl.org/au-research/vocabulary/anzsrc-for/2008/", 
        "name": "Macromolecular and Materials Chemistry", 
        "type": "DefinedTerm"
      }
    ], 
    "author": [
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Gyulmaliev", 
        "givenName": "A. M.", 
        "id": "sg:person.011577241722.70", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011577241722.70"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Zekel\u2019", 
        "givenName": "L. A.", 
        "id": "sg:person.012733636407.55", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012733636407.55"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Dandaev", 
        "givenName": "A. U.", 
        "id": "sg:person.015334772771.22", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015334772771.22"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Batov", 
        "givenName": "A. E.", 
        "id": "sg:person.012257057735.83", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012257057735.83"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kadieva", 
        "givenName": "M. Kh.", 
        "id": "sg:person.010431675375.32", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010431675375.32"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Magomadov", 
        "givenName": "E. E.", 
        "id": "sg:person.010334416261.46", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010334416261.46"
        ], 
        "type": "Person"
      }, 
      {
        "affiliation": {
          "alternateName": "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia", 
          "id": "http://www.grid.ac/institutes/grid.423490.8", 
          "name": [
            "Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia"
          ], 
          "type": "Organization"
        }, 
        "familyName": "Kadiev", 
        "givenName": "Kh. M.", 
        "id": "sg:person.012531050145.44", 
        "sameAs": [
          "https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012531050145.44"
        ], 
        "type": "Person"
      }
    ], 
    "citation": [
      {
        "id": "sg:pub.10.1134/s0965544116090073", 
        "sameAs": [
          "https://app.dimensions.ai/details/publication/pub.1053784758", 
          "https://doi.org/10.1134/s0965544116090073"
        ], 
        "type": "CreativeWork"
      }
    ], 
    "datePublished": "2021-01", 
    "datePublishedReg": "2021-01-01", 
    "description": "The study relates to the problem of selecting a solvent for organic polymers during their chemical processing. Based on the method of Askadsky, simple schemes were proposed for calculating the solubility parameter of small molecules and polymeric materials using the structural elements of molecules. On the example of small molecules and polymers it was shown that the constructed methods are not inferior in accuracy to methods of Askadsky, Small, and Van Krevelen. The proposed schemes make it possible to calculate the solubility parameter and find acceptable solvents for a polymer material with a known value of the solubility parameter. The schemes were tested on specific examples and the possibility of their application for the selection of a solvent was demonstrated.", 
    "genre": "article", 
    "id": "sg:pub.10.1134/s1070427221010080", 
    "inLanguage": "en", 
    "isAccessibleForFree": false, 
    "isPartOf": [
      {
        "id": "sg:journal.1121207", 
        "issn": [
          "0044-4618", 
          "2314-6923"
        ], 
        "name": "Russian Journal of Applied Chemistry", 
        "publisher": "Pleiades Publishing", 
        "type": "Periodical"
      }, 
      {
        "issueNumber": "1", 
        "type": "PublicationIssue"
      }, 
      {
        "type": "PublicationVolume", 
        "volumeNumber": "94"
      }
    ], 
    "keywords": [
      "solubility parameters", 
      "small molecules", 
      "polymeric materials", 
      "organic polymers", 
      "acceptable solvents", 
      "polymer materials", 
      "chemical processing", 
      "solvent", 
      "van Krevelen", 
      "molecules", 
      "polymers", 
      "simple method", 
      "materials", 
      "structural elements", 
      "method", 
      "specific examples", 
      "parameters", 
      "applications", 
      "example", 
      "simple scheme", 
      "values", 
      "possibility", 
      "elements", 
      "study", 
      "processing", 
      "scheme", 
      "accuracy", 
      "selection", 
      "problem", 
      "Small", 
      "method of Askadsky", 
      "Askadsky", 
      "Krevelen"
    ], 
    "name": "A Simple Method for Estimating the Solubility Parameter of Small Molecules and Polymeric Materials", 
    "pagination": "51-59", 
    "productId": [
      {
        "name": "dimensions_id", 
        "type": "PropertyValue", 
        "value": [
          "pub.1136303199"
        ]
      }, 
      {
        "name": "doi", 
        "type": "PropertyValue", 
        "value": [
          "10.1134/s1070427221010080"
        ]
      }
    ], 
    "sameAs": [
      "https://doi.org/10.1134/s1070427221010080", 
      "https://app.dimensions.ai/details/publication/pub.1136303199"
    ], 
    "sdDataset": "articles", 
    "sdDatePublished": "2022-01-01T19:01", 
    "sdLicense": "https://scigraph.springernature.com/explorer/license/", 
    "sdPublisher": {
      "name": "Springer Nature - SN SciGraph project", 
      "type": "Organization"
    }, 
    "sdSource": "s3://com-springernature-scigraph/baseset/20220101/entities/gbq_results/article/article_884.jsonl", 
    "type": "ScholarlyArticle", 
    "url": "https://doi.org/10.1134/s1070427221010080"
  }
]
 

Download the RDF metadata as:  json-ld nt turtle xml License info

HOW TO GET THIS DATA PROGRAMMATICALLY:

JSON-LD is a popular format for linked data which is fully compatible with JSON.

curl -H 'Accept: application/ld+json' 'https://scigraph.springernature.com/pub.10.1134/s1070427221010080'

N-Triples is a line-based linked data format ideal for batch operations.

curl -H 'Accept: application/n-triples' 'https://scigraph.springernature.com/pub.10.1134/s1070427221010080'

Turtle is a human-readable linked data format.

curl -H 'Accept: text/turtle' 'https://scigraph.springernature.com/pub.10.1134/s1070427221010080'

RDF/XML is a standard XML format for linked data.

curl -H 'Accept: application/rdf+xml' 'https://scigraph.springernature.com/pub.10.1134/s1070427221010080'


 

This table displays all metadata directly associated to this object as RDF triples.

137 TRIPLES      22 PREDICATES      60 URIs      51 LITERALS      6 BLANK NODES

Subject Predicate Object
1 sg:pub.10.1134/s1070427221010080 schema:about anzsrc-for:03
2 anzsrc-for:0303
3 schema:author N2ea29642e8374eda88bd8200f73ad6dd
4 schema:citation sg:pub.10.1134/s0965544116090073
5 schema:datePublished 2021-01
6 schema:datePublishedReg 2021-01-01
7 schema:description The study relates to the problem of selecting a solvent for organic polymers during their chemical processing. Based on the method of Askadsky, simple schemes were proposed for calculating the solubility parameter of small molecules and polymeric materials using the structural elements of molecules. On the example of small molecules and polymers it was shown that the constructed methods are not inferior in accuracy to methods of Askadsky, Small, and Van Krevelen. The proposed schemes make it possible to calculate the solubility parameter and find acceptable solvents for a polymer material with a known value of the solubility parameter. The schemes were tested on specific examples and the possibility of their application for the selection of a solvent was demonstrated.
8 schema:genre article
9 schema:inLanguage en
10 schema:isAccessibleForFree false
11 schema:isPartOf N71562f18f9024551901a25e9e77493dc
12 N9c90ecc3fcf24a1e8d2761710583cf2d
13 sg:journal.1121207
14 schema:keywords Askadsky
15 Krevelen
16 Small
17 acceptable solvents
18 accuracy
19 applications
20 chemical processing
21 elements
22 example
23 materials
24 method
25 method of Askadsky
26 molecules
27 organic polymers
28 parameters
29 polymer materials
30 polymeric materials
31 polymers
32 possibility
33 problem
34 processing
35 scheme
36 selection
37 simple method
38 simple scheme
39 small molecules
40 solubility parameters
41 solvent
42 specific examples
43 structural elements
44 study
45 values
46 van Krevelen
47 schema:name A Simple Method for Estimating the Solubility Parameter of Small Molecules and Polymeric Materials
48 schema:pagination 51-59
49 schema:productId N3d8ca6645ebf4a7bae4d527c259032a5
50 N522bd32de4514ac1b259dc82d731f9bb
51 schema:sameAs https://app.dimensions.ai/details/publication/pub.1136303199
52 https://doi.org/10.1134/s1070427221010080
53 schema:sdDatePublished 2022-01-01T19:01
54 schema:sdLicense https://scigraph.springernature.com/explorer/license/
55 schema:sdPublisher N131ced9659d74da48b72143afd9f76ca
56 schema:url https://doi.org/10.1134/s1070427221010080
57 sgo:license sg:explorer/license/
58 sgo:sdDataset articles
59 rdf:type schema:ScholarlyArticle
60 N0d43729f89494c20a93bd25916ddcdcd rdf:first sg:person.010334416261.46
61 rdf:rest Na50b584dc30f4a4a8598630f91b1811a
62 N131ced9659d74da48b72143afd9f76ca schema:name Springer Nature - SN SciGraph project
63 rdf:type schema:Organization
64 N2ea29642e8374eda88bd8200f73ad6dd rdf:first sg:person.011577241722.70
65 rdf:rest Nf8841baee5fd414bb0b6524060bf76ae
66 N3b2c0354572a47a995341f629b5cebe6 rdf:first sg:person.010431675375.32
67 rdf:rest N0d43729f89494c20a93bd25916ddcdcd
68 N3d8ca6645ebf4a7bae4d527c259032a5 schema:name doi
69 schema:value 10.1134/s1070427221010080
70 rdf:type schema:PropertyValue
71 N522bd32de4514ac1b259dc82d731f9bb schema:name dimensions_id
72 schema:value pub.1136303199
73 rdf:type schema:PropertyValue
74 N6305db39678545e3a50fc10d3a9a66b6 rdf:first sg:person.012257057735.83
75 rdf:rest N3b2c0354572a47a995341f629b5cebe6
76 N71562f18f9024551901a25e9e77493dc schema:volumeNumber 94
77 rdf:type schema:PublicationVolume
78 N9c90ecc3fcf24a1e8d2761710583cf2d schema:issueNumber 1
79 rdf:type schema:PublicationIssue
80 Na50b584dc30f4a4a8598630f91b1811a rdf:first sg:person.012531050145.44
81 rdf:rest rdf:nil
82 Na67b230f3edf4dbd97ec67131a6968e8 rdf:first sg:person.015334772771.22
83 rdf:rest N6305db39678545e3a50fc10d3a9a66b6
84 Nf8841baee5fd414bb0b6524060bf76ae rdf:first sg:person.012733636407.55
85 rdf:rest Na67b230f3edf4dbd97ec67131a6968e8
86 anzsrc-for:03 schema:inDefinedTermSet anzsrc-for:
87 schema:name Chemical Sciences
88 rdf:type schema:DefinedTerm
89 anzsrc-for:0303 schema:inDefinedTermSet anzsrc-for:
90 schema:name Macromolecular and Materials Chemistry
91 rdf:type schema:DefinedTerm
92 sg:journal.1121207 schema:issn 0044-4618
93 2314-6923
94 schema:name Russian Journal of Applied Chemistry
95 schema:publisher Pleiades Publishing
96 rdf:type schema:Periodical
97 sg:person.010334416261.46 schema:affiliation grid-institutes:grid.423490.8
98 schema:familyName Magomadov
99 schema:givenName E. E.
100 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010334416261.46
101 rdf:type schema:Person
102 sg:person.010431675375.32 schema:affiliation grid-institutes:grid.423490.8
103 schema:familyName Kadieva
104 schema:givenName M. Kh.
105 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.010431675375.32
106 rdf:type schema:Person
107 sg:person.011577241722.70 schema:affiliation grid-institutes:grid.423490.8
108 schema:familyName Gyulmaliev
109 schema:givenName A. M.
110 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.011577241722.70
111 rdf:type schema:Person
112 sg:person.012257057735.83 schema:affiliation grid-institutes:grid.423490.8
113 schema:familyName Batov
114 schema:givenName A. E.
115 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012257057735.83
116 rdf:type schema:Person
117 sg:person.012531050145.44 schema:affiliation grid-institutes:grid.423490.8
118 schema:familyName Kadiev
119 schema:givenName Kh. M.
120 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012531050145.44
121 rdf:type schema:Person
122 sg:person.012733636407.55 schema:affiliation grid-institutes:grid.423490.8
123 schema:familyName Zekel’
124 schema:givenName L. A.
125 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.012733636407.55
126 rdf:type schema:Person
127 sg:person.015334772771.22 schema:affiliation grid-institutes:grid.423490.8
128 schema:familyName Dandaev
129 schema:givenName A. U.
130 schema:sameAs https://app.dimensions.ai/discover/publication?and_facet_researcher=ur.015334772771.22
131 rdf:type schema:Person
132 sg:pub.10.1134/s0965544116090073 schema:sameAs https://app.dimensions.ai/details/publication/pub.1053784758
133 https://doi.org/10.1134/s0965544116090073
134 rdf:type schema:CreativeWork
135 grid-institutes:grid.423490.8 schema:alternateName Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia
136 schema:name Topchiev Institute of Petrochemical Synthesis, Russian Academy of Sciences, 119991, Moscow, Russia
137 rdf:type schema:Organization
 




Preview window. Press ESC to close (or click here)


...