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Quasi-elastic neutron scattering (QENS) is a novel experimental technique for studying the translational dynamics of water in cement paste. In our work, the improved empirical diffusion model has been used to the nonlinear least square fit of the QENS experimental data of cement samples cured for 7, 14 and 30 days, where an energy resolution function R (Q, E) of four Gaussian terms instead of one Gaussian term is utilized during the fitting process. Parameters of the translational dynamics of water in cement paste have been deduced: the number density of immobile water A, the free water index FWI=B1/(A+B1+B2), the full width half maximum of Lorentzian function Γ, the average residence time τ0 between jumps and the self-diffusion coefficient Dt of mobile water. Fitted QENS spectra are more accurate and the dynamics of water in cement paste can be quantitatively explained with these deduced parameters.All this provides a practical and useful method for spectral analysis of QENS on translational dynamics of water in cement.
[1] Aldridge L P, Bordallo H N, Desmedt A 2004 Physica B 350 e565
[2] Mori K, Sato T, Fukunaga T, Oishi K, Kimura K, Iwase K, Sugiyama M, Itoh K, Shikanai F, Wuernisha T, Yonemura M, Sulistyanintyas D, Tsukushi I, Takata S, Otomo T, Kamiyma T, Kawai M 2006 Physica B 385 517
[3] Fratini E, Chen S H, Baglioni P, Bellissent-Funel M C 2002 J. Phys.Chem. B 106 158
[4] Fratini E, Chen S H, Baglioni P, Bellissent-Funel M C 2001 Phys. Rev. E 64 020201
[5] Baglioni P, Fratini E, Chen S H 2002 Appl. Phys. A 74 S1178
[6] FitzGerald S A, Neumann D A, Rush J J, Bentz D P, Livingston R A 1998 Chem. Mater. 10 397
[7] Meyer A, Dimeo R M, Gehring P M, Neumann D A 2003 Rev. Sci. Instrum. 74 2759
[8] Li H, Zhang L L, Yi Z 2014 Nuclear Techniques 37 2 (in Chinese) [李华, 张丽丽, 易洲 2014 核技术 37 2]
[9] Peterson V K 2010 Springer 19
[10] Thomas J J, FitzGerald S A, Neumann D A, Livingston R A 2001 J. Am. Ceram. Soc. 84 1811
[11] Peterson V K, Neumann D A, Livingston R A 2005 J. Phys. Chem. B 109 14449
[12] Harris D H C, Windsor C G, Lawrence C D 1974 Mag. Concrete. Res. 26 65
[13] Berliner R, Popvici M, Herwig K W, Berliner M, Jennings H M, Thomas J J 1998 Cem. Concr. Res. 28 231
[14] Nemes N M, Neumann D A, Livingston R A. 2006 J. Mater. Res. 21 2516
[15] Zhang Y, Lagi M, Liu D Z, Mallamace F, Fratini E, Baglioni P, Mamontov E, Hagen M, Chen S H 2009 J. Chem. Phys. 130 135101
[16] Li H, Fratini E, Chiang Wei-Shan, Baglioni P, Mamontov E, Chen S H 2012 Phys. Rev. E 86 061505
[17] Zhang Y, Lagi M, Fratini E, Baglioni P, Mamontov E, Chen S H 2009 Phys. Rev. E 79 040201
[18] Bee M 1988 Quasielastic neutron scattering (Bristol and Philadelphia: Adam Hilger)
[19] Singwi K S, Sjölander A 1960 A. Phys. Rev. 119 863
[20] Bordallo H N, Aldridge L P, Desmedt A, Desmedt A 2006 J. Phys. Chem. B 110 17966
[21] Li H, Chiang Wei-Shan, Fratini E, Ridi F, Bausi F, Baglioni P, Tyagi M, Chen S H 2012 J. Phys-Condens. Mat. 24 064108
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[1] Aldridge L P, Bordallo H N, Desmedt A 2004 Physica B 350 e565
[2] Mori K, Sato T, Fukunaga T, Oishi K, Kimura K, Iwase K, Sugiyama M, Itoh K, Shikanai F, Wuernisha T, Yonemura M, Sulistyanintyas D, Tsukushi I, Takata S, Otomo T, Kamiyma T, Kawai M 2006 Physica B 385 517
[3] Fratini E, Chen S H, Baglioni P, Bellissent-Funel M C 2002 J. Phys.Chem. B 106 158
[4] Fratini E, Chen S H, Baglioni P, Bellissent-Funel M C 2001 Phys. Rev. E 64 020201
[5] Baglioni P, Fratini E, Chen S H 2002 Appl. Phys. A 74 S1178
[6] FitzGerald S A, Neumann D A, Rush J J, Bentz D P, Livingston R A 1998 Chem. Mater. 10 397
[7] Meyer A, Dimeo R M, Gehring P M, Neumann D A 2003 Rev. Sci. Instrum. 74 2759
[8] Li H, Zhang L L, Yi Z 2014 Nuclear Techniques 37 2 (in Chinese) [李华, 张丽丽, 易洲 2014 核技术 37 2]
[9] Peterson V K 2010 Springer 19
[10] Thomas J J, FitzGerald S A, Neumann D A, Livingston R A 2001 J. Am. Ceram. Soc. 84 1811
[11] Peterson V K, Neumann D A, Livingston R A 2005 J. Phys. Chem. B 109 14449
[12] Harris D H C, Windsor C G, Lawrence C D 1974 Mag. Concrete. Res. 26 65
[13] Berliner R, Popvici M, Herwig K W, Berliner M, Jennings H M, Thomas J J 1998 Cem. Concr. Res. 28 231
[14] Nemes N M, Neumann D A, Livingston R A. 2006 J. Mater. Res. 21 2516
[15] Zhang Y, Lagi M, Liu D Z, Mallamace F, Fratini E, Baglioni P, Mamontov E, Hagen M, Chen S H 2009 J. Chem. Phys. 130 135101
[16] Li H, Fratini E, Chiang Wei-Shan, Baglioni P, Mamontov E, Chen S H 2012 Phys. Rev. E 86 061505
[17] Zhang Y, Lagi M, Fratini E, Baglioni P, Mamontov E, Chen S H 2009 Phys. Rev. E 79 040201
[18] Bee M 1988 Quasielastic neutron scattering (Bristol and Philadelphia: Adam Hilger)
[19] Singwi K S, Sjölander A 1960 A. Phys. Rev. 119 863
[20] Bordallo H N, Aldridge L P, Desmedt A, Desmedt A 2006 J. Phys. Chem. B 110 17966
[21] Li H, Chiang Wei-Shan, Fratini E, Ridi F, Bausi F, Baglioni P, Tyagi M, Chen S H 2012 J. Phys-Condens. Mat. 24 064108
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