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Journal of Polymer Research

Erschienen in:

01.08.2019 | Original Paper

Microstructure analysis of copolymers of substituted itaconimide and methyl methacrylate: experimental and computational investigation

verfasst von: Chetana Deoghare, Honey Srivastava, Raghu Nath Behera, Rashmi Chauhan

Erschienen in: Journal of Polymer Research | Ausgabe 8/2019

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Abstract

We present the microstructure analysis of copolymers of N-phenylitaconimide (PI) and methyl methacrylate (MMA) using experiment and computational study. The microstructure of copolymers, synthesized via atom transfer radical polymerization (ATRP) method, is characterized using ¹³C-NMR spectroscopy and elemental analysis. The copolymerization reactions are studied using the density functional theory (B3LYP/6–31 + G(d) level) and the reactivity ratios for the monomers are estimated from the rate constants of propagation (k_p). Excellent agreement between the calculated and experimentally determined triad fractions is obtained when the polymeric species are modeled as trimers with the penultimate unit effect.

Vorheriger Artikel Nanocomposites of polyethylene and ternary (Mg + Zn/Al) layered double hydroxide modified with an organic UV absorber

Nächster Artikel Application of multiple regression analysis in optimization of metronidazole-chitosan nanoparticles

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Solanki A, Anand V, Choudhary V, Varma I (2001). J Macromol Sci Polym Rev C41:253–284CrossRef

Anand V, Choudhary V (2001) J Appl Polym Sci 82:2078–2086

Anand V, Choudhary V (2003). J Appl Polym Sci 89:1195–1202CrossRef

Chauhan R, Choudhary VJ (2006). Appl Polym Sci 101:2391–2398CrossRef

Chauhan R, Choudhary VJ (2008). Appl Polym Sci 109:987–996CrossRef

Mullar A, Matyjaszewski K (2009) Radical polymerization, Controlled and living polymerization, WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim, pp. 103–166

Matyjaszewski K, Ed. (2000) Controlled/living radical polymerization, progress in ATRP, NMP, and RAFT; ACS Symposium Series 768; American Chemical Society: Washington, DC

Tsarevsky NV, Matyjaszewski K (2007). Chem Rev 107:2270PubMedCrossRef

Barner-Kowollik C, Davis TP, Heuts JP, Stenzel MH, Vana P, Whittaker M (2003). J Polym Sci A Polym Chem 41:365CrossRef

10.

Wang JS, Matyjaszewski K (1995). J Am Chem Soc 117:5614CrossRef

11.

Kato M, Kamigaito M, Sawamoto M, Higashimura T (1995). Macromolecules 28:1721CrossRef

12.

Kamigaito M, Ando T, Sawamoto M (2001). Chem Rev 101:3689PubMedCrossRef

13.

Matyjaszewski K, Xia J (2001). Chem Rev 101:2921PubMedCrossRef

14.

Matyjaszewski K (2012). Macromolecules 45:4015CrossRef

15.

Siegwart DJ, Oh JK, Matyjaszewski K (2012). Prog Polym Sci 37:18PubMedCrossRef

16.

Odian G (2004) Principles of polymerization, Wiley Interscience, Staten Island, 4^th Edition, pp198–349

17.

Beuermann S, Buback M, Davis TP, Gilbert RG, Hutchinson RA, Kajiwara A, Klumperman B, Russell GT (2000). Macromol Chem Phys 201:1355–1364CrossRef

18.

Beuermann S, Paquet Jr DA, McMinn JH, Hutchinson RA (1996). Macromolecules 29:4206–4215CrossRef

19.

Beuermannb S, Buback M, Davis TP, Gilbert RG, Hutchinson RA, Olaj OF, Russell GT, Schweer J, van Herk AM (1997). Macromol Chem Phys 198:1545–1560CrossRef

20.

Buback M, Kurz CH, Schmaltz C (1998). Macromol Chem Phys 199:1721–1727CrossRef

21.

Buback M, Feldermann A, Barner-Kowollik C (2001). Macromolecules 34:5439–5448CrossRef

22.

Hutchinson RA, Paquet Jr DA, Beuermann S, McMinn JH (1998). Ind Eng Chem Res 37:3567–3574CrossRef

23.

Anand V, Kumar R, Choudhary V (2004). J Appl Polym Sci 91:2016–2027CrossRef

24.

Chauhan R, Choudhary V (2010). J Appl Polym Sci 115:491–497CrossRef

25.

Brar AS, Dutta K, Kapur GS (1996). Macromolecules 28:8735–8741CrossRef

26.

Bulai A, Jimeno M-L, RomAn JS (1995). Macromolecules 28:7363–7369CrossRef

27.

Brar AS, Malhotra M (1996). Macromolecules 29:7470–7476CrossRef

28.

Mavroudakis E, Cuccato D, Moscatelli D (2015) On the use of quantum chemistry for the determination of propagation, copolymerization, and secondary reaction kinetics in free radical polymerization. Polymers 7:1789–1819CrossRef

29.

Benjamin B, Noble A, Coote ML (2013). Int Rev Phys Chem 32:467–513CrossRef

30.

Coote ML (2009) Quantum-chemical modeling of free-radical polymerization. Macromol Theory Simul 18:388–400CrossRef

31.

Yamazaki H, Matsumoto A, Otsu T (1997). Eur Polym J 33:157–162CrossRef

32.

Oishi T (1980). Polym J 12:799–807CrossRef

33.

Ono K, Teramachi S (1995). Polym J 27:790–796CrossRef

34.

Mayo FR, Lewis FM (1944). J Am Chem Soc 66:1594–1601CrossRef

35.

Fukuda T, Ma Y-D, Inagaki H (1985). Macromolecules 18:17CrossRef

36.

Mayo FR, Lewis FM (1944). J Am Chem Soc 66:1594CrossRef

37.

Merz E, Alfrey T, Goldfinger G (1946). J Polym Sci 1:75CrossRef

38.

Piotrcieplak EM, Kaim A (2002). J Polym Sci A Polym Chem 40:3592–3603CrossRef

39.

Coote ML, Davis TP (1999) The mechanism of the propagation step in free-radical copolymerisation. Prog Polym Sci 24:1217–1251CrossRef

40.

Davis TP, O'Driscoll KF, Piton MC, Winnik MA (1990). Macromolecules 23:2113–2119CrossRef

41.

Heuts JPA, Gilbert RG (1997). Macromolecules 30:726–736CrossRef

42.

Rahdar SS, Ahmadi E, Abdollahi M, Hemmati M (2014). J Polym Res 21:582CrossRef

43.

Heuts JPA, Gilbert RG, Maxwell IA (1997). Macromolecules 30:726CrossRef

44.

Hisano M, Takeda K, Takashima T, Jin Z, Shiibashi A, Matsumoto A (2013). Macromolecules 46:3314–3323CrossRef

45.

Schweer J (1993). Makromol Chem Theory Simul 2:485CrossRef

46.

Ham GE (1954) Reactivity of polar monomers in copolymerization. J Polym Sci 14:87–93CrossRef

47.

Fukuda T, Ide N, Ma Y-D (1996). Macromol Symp 111:305–315CrossRef

48.

Ma Y-D, Won Y-C, Kubo K, Fukuda T (1993). Macromolecules 26:6766–6770CrossRef

49.

Ma Y-D, Kim D-S, Kubo K, Fukuda T (1994). Polymer 35:1375CrossRef

50.

Piton MC, Winnik MA, Davis TP, O’Driscoll KF (1990). J Polym Sci A Polym Chem 28:2097CrossRef

51.

Sato T, Takahashi K, Tanaka H, Ohta T, Kato K (1991). Macromolecules 24:2330–2333CrossRef

52.

Sanayei RA, O’Driscoll KF, Klumperman B (1994). Macromolecules 27:5577CrossRef

53.

Van Speybroeck V, van Neck D, Waroquier M, Wauters S, Saeys M, Marin GB (2000) Ab initio study of radical addition reactions: addition of a primary ethylbenzene radical to ethene (I). J Phys Chem A 104:10939–10950CrossRef

54.

Filley J, McKinnon JT, Wu DT, Ko GH (2002) Theoretical study of ethylene-vinyl acetate free-radical copolymerization: reactivity ratios, penultimate effects, and relative rates of chain transfer to polymer. Macromolecules 35:3731–3738CrossRef

55.

Mitoraj M, Michalak A (2005) DFT studies on isomerization reactions in the copolymerization of ethylene and methyl acrylate catalyzed by Ni-diimine and Pd-diimine complexes. J Mol Model 11:341–350PubMedCrossRef

56.

Dossi M, Moscatelli D (2012) A QM approach to the calculation of reactivity ratios in free-radical copolymerization. Macromol React Eng 6:74–84CrossRef

57.

Lin CY, Coote ML, Petit A, Richard P, Poli R, Matyjaszewski K (2007). Macromolecules 40:5985–5994CrossRef

58.

Yu X, Levine SE, Broadbelt LJ (2008). Macromolecules 41:8242–8251CrossRef

59.

Zang H, Klumperman B, Ming W, Fischer H, Linde R (2001). Macromolecules 34:6169CrossRef

60.

Ohno K, Tsujii Y, Miyamoto T, Fukuda T, Goto M, Kobayashi K, Akaike T (1998). Macromolecules 31:1064CrossRef

61.

Fischer H (2001). Chem Rev 101:3581PubMedCrossRef

62.

Goto A, Fukuda T (2004). Prog Polym Sci 29:329CrossRef

63.

Fischer H (1999). J Polym Sci, Part A: Polym Chem 37:1885CrossRef

64.

Deoghare C, Baby C, Nadkarni VS, Behera RN, Chauhan R (2014). RSC Adv 4:48163CrossRef

65.

Ziaee F, Nekoomanesh M (1998). Polymer 39:203–207CrossRef

66.

Gaussian 09, Revision B.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski and D. J. Fox, Gaussian, Inc., Wallingford CT, 2010

67.

Lee C, Yang W, Parr RG (1988). Phys Rev B37:785CrossRef

68.

Becke AD (1988). Phys Rev A38:3098CrossRef

69.

Becke AD (1993). J Chem Phys 98:5648CrossRef

70.

Foresman JB, Frisch A (1996) Exploring chemistry with electronics structure methods, Gaussian, Inc. Pittsburgh, 2nd edition, pp. 64

71.

Miertus S, Scrocco E, Tomasi J (1981) Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects. Chem Phys 55:117–129CrossRef

72.

Peng C, Ayala PY, Schlegel HB (1996). J Comb Chem 17:49–56CrossRef

73.

Irikura KK (1998) Computational thermochemistry: prediction and estimation of molecular thermodynamics1st edn. American Chemical Society, Washington, DCCrossRef

74.

Izgorodina EI, Coote ML (2006). Chem Phys 324:96–110CrossRef

75.

Lin CY, Izgorodina EI, Coote ML (2010). Macromolecules 43:553–560CrossRef

Titel: Microstructure analysis of copolymers of substituted itaconimide and methyl methacrylate: experimental and computational investigation
verfasst von: Chetana Deoghare
Honey Srivastava
Raghu Nath Behera
Rashmi Chauhan
Publikationsdatum: 01.08.2019
Verlag: Springer Netherlands
Erschienen in: Journal of Polymer Research / Ausgabe 8/2019
Print ISSN: 1022-9760
Elektronische ISSN: 1572-8935
DOI: https://doi.org/10.1007/s10965-019-1853-y

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