http://rdf.ncbi.nlm.nih.gov/pubchem/patent/KR-20120085172-A
Outgoing Links
| Predicate | Object |
|---|---|
| assignee | http://rdf.ncbi.nlm.nih.gov/pubchem/patentassignee/MD5_80043ffec136c9502d017a28fe37b576 |
| classificationCPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06F17-10 http://rdf.ncbi.nlm.nih.gov/pubchem/patentcpc/G06N3-12 |
| classificationIPCInventive | http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06N3-12 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F17-10 http://rdf.ncbi.nlm.nih.gov/pubchem/patentipc/G06F19-00 |
| filingDate | 2011-10-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| inventor | http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_eedee71130caa0e53d03676ffb9d1049 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_728de50191ff9a36d22eb403c35ffe26 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_2c6fddb2e1c091ea9ac1c932ae4ca3f7 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f7628b31b476d597e3f66a1268a71618 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_f529341657694a59a5bd227c15aa713a http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_53a6b07844419552944dc5817b99338b http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_0c6da4e7714e778fa48b37380bc8b347 http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_616d2633971f0bf6946da8c40068134a |
| publicationDate | 2012-07-31-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| publicationNumber | KR-20120085172-A |
| titleOfInvention | SRC Model Predicting Heat Capacity of Liquid of Pure Organic Compound |
| abstract | The present invention consists of up to five elements such as hydrogen (H), carbon (C), nitrogen (N), oxygen (O), and sulfur (S), and is composed of pure molecules consisting of up to 25 atoms except hydrogen. A mathematical model is provided that predicts the heat capacity of liquid of a compound with high accuracy. The above model is a scaled variable reduced coordinate (SVRC) model, which allows the SVRC equation to determine the value of the heat capacity of the liquid at each temperature. These calculations require the values of several parameters, which are values unique to each compound. In order to obtain them in the present invention, the experimental values for the heat capacity of liquids of a plurality of compounds satisfying the above-mentioned conditions are obtained. Based on this, multiple linear regression and artificial neural networks were used to establish quantitative structure-property relationship (QSPR) prediction models for each parameter. Therefore, the model predicts the heat capacity of the liquid of a compound composed purely of this molecule, as long as the specific values of the molecular descriptors included in the model are known. As such, the present invention provides a method for predicting the value of the heat capacity of the liquid, which is reliable even for a large number of the above-mentioned compounds whose experimental values are not known, thereby saving the cost and time required for the experiment, and thus promoting R & D activities in related industries. It produces effects such as facilitating. |
| priorityDate | 2011-10-06-04:00^^<http://www.w3.org/2001/XMLSchema#date> |
| type | http://data.epo.org/linked-data/def/patent/Publication |
Incoming Links
| Predicate | Subject |
|---|---|
| isDiscussedBy | http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID458392451 |
Total number of triples: 22.