Loading…
Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method
A new method for estimating high pressure liquid heat capacities based on molecular structure and group contribution is proposed. A common set of structural groups was employed. The method was developed using 67 sets of 43 organic compounds with 3449 experimental heat capacity data. A small number o...
Saved in:
| Published in: | Journal of the Serbian Chemical Society 2011-01, Vol.76 (3), p.417-423 |
|---|---|
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Subjects: | |
| Citations: | Items that this one cites Items that cite this one |
| Online Access: | Get full text |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| cited_by | cdi_FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3 |
|---|---|
| cites | cdi_FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3 |
| container_end_page | 423 |
| container_issue | 3 |
| container_start_page | 417 |
| container_title | Journal of the Serbian Chemical Society |
| container_volume | 76 |
| creator | Jovanovic, Jovan Knezevic-Stevanovic, Andjela Grozdanic, Dusan |
| description | A new method for estimating high pressure liquid heat capacities based on
molecular structure and group contribution is proposed. A common set of
structural groups was employed. The method was developed using 67 sets of 43
organic compounds with 3449 experimental heat capacity data. A small number
of measured compounds, data points per compound and other comparable methods
were observed. This is a simple first-order approximation with acceptable
accuracy of 2.548%.
nema |
| doi_str_mv | 10.2298/JSC100511031J |
| format | article |
| fullrecord | <record><control><sourceid>proquest_doaj_</sourceid><recordid>TN_cdi_doaj_primary_oai_doaj_org_article_e67dd1b5a7204fe0916dcab2cf380a4f</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><doaj_id>oai_doaj_org_article_e67dd1b5a7204fe0916dcab2cf380a4f</doaj_id><sourcerecordid>1770333805</sourcerecordid><originalsourceid>FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3</originalsourceid><addsrcrecordid>eNpVkUFv1DAQRi0EEkvhyN1HLoEZO46zR7QC2qoSSMDZmtjjXVfZOLWTQ_89aRchcRrp05s3I31CvEf4qNS-_3T784AABhE03r4QO-wVNLZV-FLsQBvVGNT71-JNrfcAyhjd7kT8UTgkv6Q8yRzlKR1Pci5c61pYjulhTUGemBbpaSaflsT1icvlSFPy0ufznNcpVDk8SpLHktd5C6elpGF9lp55OeXwVryKNFZ-93deid9fv_w6XDd337_dHD7fNV5bs2wP8mBRBeq0om7oAam31lulPPrYxr61wMoAYoiqUxyGaBGU7YfOBxy8vhI3F2_IdO_mks5UHl2m5J6D7W1HZUl-ZMedDduOIaugjQx77IKnQfmoe6A2bq4PF9dc8sPKdXHnVD2PI02c1-rQWtB6g82GNhfUl1xr4fjvNIJ76sb9143-AzRfgpk</addsrcrecordid><sourcetype>Open Website</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1770333805</pqid></control><display><type>article</type><title>Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method</title><source>IngentaConnect Journals</source><source>Free Full-Text Journals in Chemistry</source><creator>Jovanovic, Jovan ; Knezevic-Stevanovic, Andjela ; Grozdanic, Dusan</creator><creatorcontrib>Jovanovic, Jovan ; Knezevic-Stevanovic, Andjela ; Grozdanic, Dusan</creatorcontrib><description>A new method for estimating high pressure liquid heat capacities based on
molecular structure and group contribution is proposed. A common set of
structural groups was employed. The method was developed using 67 sets of 43
organic compounds with 3449 experimental heat capacity data. A small number
of measured compounds, data points per compound and other comparable methods
were observed. This is a simple first-order approximation with acceptable
accuracy of 2.548%.
nema</description><identifier>ISSN: 0352-5139</identifier><identifier>EISSN: 1820-7421</identifier><identifier>DOI: 10.2298/JSC100511031J</identifier><language>eng</language><publisher>Serbian Chemical Society</publisher><subject>Acceptability ; Approximation ; Data points ; group contribution ; Heat capacity ; high pressure heat capacity ; liquid ; Liquids ; Mathematical analysis ; Organic compounds ; prediction ; pure compound ; Specific heat</subject><ispartof>Journal of the Serbian Chemical Society, 2011-01, Vol.76 (3), p.417-423</ispartof><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3</citedby><cites>FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,777,781,27905,27906</link.rule.ids></links><search><creatorcontrib>Jovanovic, Jovan</creatorcontrib><creatorcontrib>Knezevic-Stevanovic, Andjela</creatorcontrib><creatorcontrib>Grozdanic, Dusan</creatorcontrib><title>Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method</title><title>Journal of the Serbian Chemical Society</title><description>A new method for estimating high pressure liquid heat capacities based on
molecular structure and group contribution is proposed. A common set of
structural groups was employed. The method was developed using 67 sets of 43
organic compounds with 3449 experimental heat capacity data. A small number
of measured compounds, data points per compound and other comparable methods
were observed. This is a simple first-order approximation with acceptable
accuracy of 2.548%.
nema</description><subject>Acceptability</subject><subject>Approximation</subject><subject>Data points</subject><subject>group contribution</subject><subject>Heat capacity</subject><subject>high pressure heat capacity</subject><subject>liquid</subject><subject>Liquids</subject><subject>Mathematical analysis</subject><subject>Organic compounds</subject><subject>prediction</subject><subject>pure compound</subject><subject>Specific heat</subject><issn>0352-5139</issn><issn>1820-7421</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2011</creationdate><recordtype>article</recordtype><sourceid>DOA</sourceid><recordid>eNpVkUFv1DAQRi0EEkvhyN1HLoEZO46zR7QC2qoSSMDZmtjjXVfZOLWTQ_89aRchcRrp05s3I31CvEf4qNS-_3T784AABhE03r4QO-wVNLZV-FLsQBvVGNT71-JNrfcAyhjd7kT8UTgkv6Q8yRzlKR1Pci5c61pYjulhTUGemBbpaSaflsT1icvlSFPy0ufznNcpVDk8SpLHktd5C6elpGF9lp55OeXwVryKNFZ-93deid9fv_w6XDd337_dHD7fNV5bs2wP8mBRBeq0om7oAam31lulPPrYxr61wMoAYoiqUxyGaBGU7YfOBxy8vhI3F2_IdO_mks5UHl2m5J6D7W1HZUl-ZMedDduOIaugjQx77IKnQfmoe6A2bq4PF9dc8sPKdXHnVD2PI02c1-rQWtB6g82GNhfUl1xr4fjvNIJ76sb9143-AzRfgpk</recordid><startdate>20110101</startdate><enddate>20110101</enddate><creator>Jovanovic, Jovan</creator><creator>Knezevic-Stevanovic, Andjela</creator><creator>Grozdanic, Dusan</creator><general>Serbian Chemical Society</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>DOA</scope></search><sort><creationdate>20110101</creationdate><title>Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method</title><author>Jovanovic, Jovan ; Knezevic-Stevanovic, Andjela ; Grozdanic, Dusan</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2011</creationdate><topic>Acceptability</topic><topic>Approximation</topic><topic>Data points</topic><topic>group contribution</topic><topic>Heat capacity</topic><topic>high pressure heat capacity</topic><topic>liquid</topic><topic>Liquids</topic><topic>Mathematical analysis</topic><topic>Organic compounds</topic><topic>prediction</topic><topic>pure compound</topic><topic>Specific heat</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Jovanovic, Jovan</creatorcontrib><creatorcontrib>Knezevic-Stevanovic, Andjela</creatorcontrib><creatorcontrib>Grozdanic, Dusan</creatorcontrib><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Open Access: DOAJ - Directory of Open Access Journals</collection><jtitle>Journal of the Serbian Chemical Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jovanovic, Jovan</au><au>Knezevic-Stevanovic, Andjela</au><au>Grozdanic, Dusan</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method</atitle><jtitle>Journal of the Serbian Chemical Society</jtitle><date>2011-01-01</date><risdate>2011</risdate><volume>76</volume><issue>3</issue><spage>417</spage><epage>423</epage><pages>417-423</pages><issn>0352-5139</issn><eissn>1820-7421</eissn><abstract>A new method for estimating high pressure liquid heat capacities based on
molecular structure and group contribution is proposed. A common set of
structural groups was employed. The method was developed using 67 sets of 43
organic compounds with 3449 experimental heat capacity data. A small number
of measured compounds, data points per compound and other comparable methods
were observed. This is a simple first-order approximation with acceptable
accuracy of 2.548%.
nema</abstract><pub>Serbian Chemical Society</pub><doi>10.2298/JSC100511031J</doi><tpages>7</tpages><oa>free_for_read</oa></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0352-5139 |
| ispartof | Journal of the Serbian Chemical Society, 2011-01, Vol.76 (3), p.417-423 |
| issn | 0352-5139 1820-7421 |
| language | eng |
| recordid | cdi_doaj_primary_oai_doaj_org_article_e67dd1b5a7204fe0916dcab2cf380a4f |
| source | IngentaConnect Journals; Free Full-Text Journals in Chemistry |
| subjects | Acceptability Approximation Data points group contribution Heat capacity high pressure heat capacity liquid Liquids Mathematical analysis Organic compounds prediction pure compound Specific heat |
| title | Prediction of high pressure liquid heat capacities of organic compounds by a group contribution method |
| url | http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-19T07%3A02%3A14IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_doaj_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Prediction%20of%20high%20pressure%20liquid%20heat%20capacities%20of%20organic%20compounds%20by%20a%20group%20contribution%20method&rft.jtitle=Journal%20of%20the%20Serbian%20Chemical%20Society&rft.au=Jovanovic,%20Jovan&rft.date=2011-01-01&rft.volume=76&rft.issue=3&rft.spage=417&rft.epage=423&rft.pages=417-423&rft.issn=0352-5139&rft.eissn=1820-7421&rft_id=info:doi/10.2298/JSC100511031J&rft_dat=%3Cproquest_doaj_%3E1770333805%3C/proquest_doaj_%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c375t-51eb712da632a6b801a877c722c1cf4f8470e25011df262edbf710278b6cd1bc3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=1770333805&rft_id=info:pmid/&rfr_iscdi=true |