메뉴 건너뛰기




Volumn 26, Issue 1, 2007, Pages 352-359

A general QSPR model for the prediction of θ (lower critical solution temperature) in polymer solutions with topological indices

Author keywords

(Lower critical solution temperature); Multilinear regression analysis; Polymer solutions; QSPR; Topological index

Indexed keywords

DATA REDUCTION; MATHEMATICAL MODELS; POLYMER SOLUTIONS; TOPOLOGY;

EID: 34250824713     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.01.004     Document Type: Article
Times cited : (28)

References (34)
  • 1
    • 9644291813 scopus 로고    scopus 로고
    • Modeling of the θ (lower critical solution temperature) in polymer solutions using molecular connectivity indices
    • Liu H., and Zhong C. Modeling of the θ (lower critical solution temperature) in polymer solutions using molecular connectivity indices. Eur. Polym. J. 41 (2005) 139-147
    • (2005) Eur. Polym. J. , vol.41 , pp. 139-147
    • Liu, H.1    Zhong, C.2
  • 2
    • 0346101523 scopus 로고    scopus 로고
    • Semiempirical method for the prediction of the theta (lower critical solution temperature) in polymer solutions
    • Imre A.R., Bae Y.C., Chang B.H., and Kraska T. Semiempirical method for the prediction of the theta (lower critical solution temperature) in polymer solutions. Ind. Eng. Chem. Res. 43 (2004) 237-242
    • (2004) Ind. Eng. Chem. Res. , vol.43 , pp. 237-242
    • Imre, A.R.1    Bae, Y.C.2    Chang, B.H.3    Kraska, T.4
  • 3
    • 34250824316 scopus 로고    scopus 로고
    • A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors
    • Melagraki G., Afantitis A., Sarimveis H., Koutentis P.A., Markopoulos J., and Igglessi-Markopoulou O. A novel QSPR model for predicting θ (lower critical solution temperature) in polymer solutions using molecular descriptors. J. Mol. Model. 13 1 (2007) 55-64
    • (2007) J. Mol. Model. , vol.13 , Issue.1 , pp. 55-64
    • Melagraki, G.1    Afantitis, A.2    Sarimveis, H.3    Koutentis, P.A.4    Markopoulos, J.5    Igglessi-Markopoulou, O.6
  • 4
    • 0028330664 scopus 로고
    • Open-cell model equation of state for liquids. 1. P-V-T behavior for liquids and liquid polymers
    • Zhong C., Wang W., and Lu H. Open-cell model equation of state for liquids. 1. P-V-T behavior for liquids and liquid polymers. Macromolecules 27 (1994) 660-664
    • (1994) Macromolecules , vol.27 , pp. 660-664
    • Zhong, C.1    Wang, W.2    Lu, H.3
  • 5
    • 0029638109 scopus 로고
    • Open-cell model equation of state for liquids. 2. Polymer solutions and blends
    • Zhong C., Wang W., and Lu H. Open-cell model equation of state for liquids. 2. Polymer solutions and blends. Macromolecules 28 (1995) 7737-7743
    • (1995) Macromolecules , vol.28 , pp. 7737-7743
    • Zhong, C.1    Wang, W.2    Lu, H.3
  • 6
    • 0032325144 scopus 로고    scopus 로고
    • Liquid-liquid equilibria of binary polymer solutions with specific interactions
    • Chang B.H., and Bae Y.C. Liquid-liquid equilibria of binary polymer solutions with specific interactions. Polymer 39 (1998) 6449-6454
    • (1998) Polymer , vol.39 , pp. 6449-6454
    • Chang, B.H.1    Bae, Y.C.2
  • 7
    • 0034624882 scopus 로고    scopus 로고
    • A segmental interaction model for liquid-liquid equilibrium calculatins for polymer solutions
    • Bogdanic G., and Vidal J. A segmental interaction model for liquid-liquid equilibrium calculatins for polymer solutions. Fluid Phase Equilib. 173 (2000) 241-252
    • (2000) Fluid Phase Equilib. , vol.173 , pp. 241-252
    • Bogdanic, G.1    Vidal, J.2
  • 8
    • 0035904390 scopus 로고    scopus 로고
    • Liquid-liquid phase equilibrium in polymer-solvent systems: correlation and prediction of the polymer molecular weight and the pressure effect
    • Pappa G.D., Voutsas E.C., and Tassios D.P. Liquid-liquid phase equilibrium in polymer-solvent systems: correlation and prediction of the polymer molecular weight and the pressure effect. Ind. Eng. Chem. Res. 40 (2001) 4654-4663
    • (2001) Ind. Eng. Chem. Res. , vol.40 , pp. 4654-4663
    • Pappa, G.D.1    Voutsas, E.C.2    Tassios, D.P.3
  • 9
    • 0032123801 scopus 로고    scopus 로고
    • Empirical method to correlate and to predict the vapor-liquid equilibrium and liquid-liquid equilibrium of binary amorpous polymer solutions
    • Vetere A. Empirical method to correlate and to predict the vapor-liquid equilibrium and liquid-liquid equilibrium of binary amorpous polymer solutions. Ind. Eng. Chem. Res. 37 (1998) 2864-2872
    • (1998) Ind. Eng. Chem. Res. , vol.37 , pp. 2864-2872
    • Vetere, A.1
  • 10
    • 0032215999 scopus 로고    scopus 로고
    • An empirical method to predict the liquid-liquid equilibria of binary polymer systems
    • Vetere A. An empirical method to predict the liquid-liquid equilibria of binary polymer systems. Ind. Eng. Chem. Res. 37 (1998) 4463-4469
    • (1998) Ind. Eng. Chem. Res. , vol.37 , pp. 4463-4469
    • Vetere, A.1
  • 11
    • 0033136896 scopus 로고    scopus 로고
    • Absolute prediction of upper and lower critical solution temperatures in polymer/solvent systems based on corresponding state theory
    • Wang F., Saeki S., and Yamaguchi T. Absolute prediction of upper and lower critical solution temperatures in polymer/solvent systems based on corresponding state theory. Polymer 40 (1999) 2779-2785
    • (1999) Polymer , vol.40 , pp. 2779-2785
    • Wang, F.1    Saeki, S.2    Yamaguchi, T.3
  • 13
    • 9244239204 scopus 로고    scopus 로고
    • Prediction of refractive indices of linear polymers by a four-descriptor QSPR model
    • Xu J., Chen B., Zhang Q., and Guo B. Prediction of refractive indices of linear polymers by a four-descriptor QSPR model. Polymer 45 (2004) 8651-8659
    • (2004) Polymer , vol.45 , pp. 8651-8659
    • Xu, J.1    Chen, B.2    Zhang, Q.3    Guo, B.4
  • 15
    • 33746769343 scopus 로고    scopus 로고
    • Prediction of the glass transition temperatures of styrenic copolymers using a QSPR based on the DFT method
    • Yu X., Wang X., Wang H., Liu A., and Zhang C. Prediction of the glass transition temperatures of styrenic copolymers using a QSPR based on the DFT method. J. Mol. Struct. (Theochem) 766 (2006) 113-117
    • (2006) J. Mol. Struct. (Theochem) , vol.766 , pp. 113-117
    • Yu, X.1    Wang, X.2    Wang, H.3    Liu, A.4    Zhang, C.5
  • 16
    • 25844480546 scopus 로고    scopus 로고
    • QSPR studies of polyvinyls by density functional theory
    • Yu X., Wang X., Gao J., Li X., and Wang H. QSPR studies of polyvinyls by density functional theory. Polymer 46 (2005) 9443-9451
    • (2005) Polymer , vol.46 , pp. 9443-9451
    • Yu, X.1    Wang, X.2    Gao, J.3    Li, X.4    Wang, H.5
  • 17
    • 12844279845 scopus 로고    scopus 로고
    • General correlation for the prediction of theta (lower critical solution temperature) in polymer solutions
    • Liu H., and Zhong C. General correlation for the prediction of theta (lower critical solution temperature) in polymer solutions. Ind. Eng. Chem. Res. 44 (2005) 634-638
    • (2005) Ind. Eng. Chem. Res. , vol.44 , pp. 634-638
    • Liu, H.1    Zhong, C.2
  • 18
    • 0037075462 scopus 로고    scopus 로고
    • Prediction of indices of refraction and glass transition temperatures of linear polymers by using graph theoretical indices
    • Garcia-Domenech R., and Julian-Ortiz J.V.d. Prediction of indices of refraction and glass transition temperatures of linear polymers by using graph theoretical indices. J. Phys. Chem. B 106 (2002) 1501-1507
    • (2002) J. Phys. Chem. B , vol.106 , pp. 1501-1507
    • Garcia-Domenech, R.1    Julian-Ortiz, J.V.d.2
  • 19
    • 0036522801 scopus 로고    scopus 로고
    • Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks
    • Mattioni B.E., and Jurs P.C. Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks. J. Chem. Inf. Comput. Sci. 42 (2002) 232-240
    • (2002) J. Chem. Inf. Comput. Sci. , vol.42 , pp. 232-240
    • Mattioni, B.E.1    Jurs, P.C.2
  • 22
    • 0034299377 scopus 로고    scopus 로고
    • From molecular connectivity indices to semiempirical connectivity terms: recent trends in graph theoretical descriptors
    • Pogliani L. From molecular connectivity indices to semiempirical connectivity terms: recent trends in graph theoretical descriptors. Chem. Rev. 100 (2000) 3827-3858
    • (2000) Chem. Rev. , vol.100 , pp. 3827-3858
    • Pogliani, L.1
  • 23
    • 0037193562 scopus 로고    scopus 로고
    • Correlation of Henry's constants of nonpolar and polar solutes in molten polymers using connectivity indices
    • Zhong C., Yang C., and Li Q. Correlation of Henry's constants of nonpolar and polar solutes in molten polymers using connectivity indices. Ind. Eng. Chem. Res. 41 (2002) 2826-2833
    • (2002) Ind. Eng. Chem. Res. , vol.41 , pp. 2826-2833
    • Zhong, C.1    Yang, C.2    Li, Q.3
  • 24
    • 29244483750 scopus 로고    scopus 로고
    • Prediction of glass transition temperatures of OLED materials using topological indices
    • Xu J., and Chen B. Prediction of glass transition temperatures of OLED materials using topological indices. J. Mol. Model. 12 (2005) 24-33
    • (2005) J. Mol. Model. , vol.12 , pp. 24-33
    • Xu, J.1    Chen, B.2
  • 25
    • 0032203065 scopus 로고    scopus 로고
    • Correlation and prediction of the refractive Indices of polymer by QSPR
    • Katritzky A., Sild S., and Karelson M. Correlation and prediction of the refractive Indices of polymer by QSPR. J. Chem. Inf. Comput. Sci. 38 (1998) 1171-1176
    • (1998) J. Chem. Inf. Comput. Sci. , vol.38 , pp. 1171-1176
    • Katritzky, A.1    Sild, S.2    Karelson, M.3
  • 26
    • 0037365387 scopus 로고    scopus 로고
    • Correlation between the glass transition temperatures and repeating unit structure for high molecular weight polymers
    • Cao C., and Lin Y. Correlation between the glass transition temperatures and repeating unit structure for high molecular weight polymers. J. Chem. Inf. Comput. Sci. 43 (2003) 643-650
    • (2003) J. Chem. Inf. Comput. Sci. , vol.43 , pp. 643-650
    • Cao, C.1    Lin, Y.2
  • 31
    • 0039486131 scopus 로고
    • Graovac A. (Ed), Elsevier, Amsterdam
    • Mohar B. In: Graovac A. (Ed). MATH/CHEM/COMP 1988 (1989), Elsevier, Amsterdam 1-8
    • (1989) MATH/CHEM/COMP 1988 , pp. 1-8
    • Mohar, B.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.