| 학회 |
한국화학공학회 |
| 학술대회 |
2017년 가을 (10/25 ~ 10/27, 대전컨벤션센터) |
| 권호 |
23권 2호, p.2499 |
| 발표분야 |
2017 EDRC 산학협력 연구성과 심포지엄 |
| 제목 |
A modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model for predicting liquid viscosity of pure organic compounds |
| 초록 |
In this study, a modified scaled variable reduced coordinate (SVRC)-quantitative structure property relationship (QSPR) model was suggested and analyzed in terms of its performance of prediction for liquid viscosity compared to the conventional SVRC-QSPR model and the other methods. The modification was conducted by changing the initial point from triple point to ambient temperature (293K), and assuming that the liquid viscosity at critical temperature is 0 cP. The results reveal that the prediction performance of the modified SVRC-QSPR model is comparable with the other methods as showing 7.90% of mean absolute percentage error (MAPE) and 0.9838 of R2. In terms of both the number of components and the performance of prediction, the modified SVRC-QSPR model is superior to the conventional SVRC-QSPR model. Also, the applicability of the model is improved since the condition of the end points of the modified model is not restrictive as the conventional SVRC-QSPR model. |
| 저자 |
양대륙1, 이성민1, 박기호1, 박태윤2, 권윤경2
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| 소속 |
1고려대, 2(주)켐에쎈 |
| 키워드 |
liquid viscosity; molecular descriptor; QSPR; SVRC; property estimation
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| E-Mail |
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| VOD |
VOD 보기 |
| 원문파일 |
초록 보기 |
