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In this study, the rotational dynamics of hydration water confined in calcium-silicate-hydrate (C-S-H) gel with a water content of 22 wt.% was studied by broadband dielectric spectroscopy in broad temperature (110-300 K) and frequency (10(-1)-10(8) Hz) ranges. The C-S-H gel was used as a 3D confining system for investigating the possible existence of a fragile-to-strong transition for water around 220 K. Such transition was observed at 220 K in a previous study [Y. Zhang, M. Lagi, F. Ridi, E. Fratini, P. Baglioni, E. Mamontov and S. H. Chen, J. Phys.: Condens. Matter 20, 502101 (2008)] on a similar system, and it was there associated with a hidden critical point of bulk water. However, based on the experimental results presented here, there is no sign of a fragile-to-strong transition for water confined in C-S-H gel. Instead, the fragile-to-strong transition can be explained by a merging of two different relaxation processes at about 220 K.
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http://dx.doi.org/10.1063/1.4826638 | DOI Listing |
Phys Chem Chem Phys
August 2025
Radiochemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai-400085, India.
The glass transition of nano-confined supercooled water is still a vivid topic of discussion. Previous calorimetric studies on nano-confined water have reported that no glass transition is visible for water confined within nanopores having size less than 2 nm due to a lack of network formation [M. Oguni , 2011, , 14023-14029].
View Article and Find Full Text PDFJ Phys Chem Lett
September 2024
School of Molecular Sciences and Department of Physics, Arizona State University, PO Box 871504, Tempe, Arizona 85287-1504, United States.
Friction to translational diffusion of ionic particles in polar liquids should scale linearly with the squared ion charge, according to standard theories. Substantial slowing of translational diffusion is expected for proteins in water. In contrast, our simulations of charge mutants of green fluorescent proteins in water show remarkable insensitivity of the translational diffusion constant to protein's charge in the range of charges between -29 and +35.
View Article and Find Full Text PDFJ Chem Phys
June 2024
Dipartimento di Fisica, Università Roma Tre, Via della Vasca Navale 84, I-00146 Roma, Italy.
We study, through molecular dynamics simulations, three aqueous solutions with one lysozyme protein and three different concentrations of trehalose and dimethyl sulfoxide (DMSO). We analyze the structural and dynamical properties of the protein hydration water upon cooling. We find that trehalose plays a major role in modifying the structure of the network of HBs between water molecules in the hydration layer of the protein.
View Article and Find Full Text PDFJ Chem Phys
June 2024
Dipartimento di Matematica e Fisica, Università Roma Tre, Via della Vasca Navale 84, 00146 Rome, Italy.
We perform molecular dynamics simulations of a binary mixture of water and trehalose with the TIP4P/Ice water model. We analyze the slow dynamics of trehalose molecules in the mildly supercooled region for concentrations of 3.66 and 18.
View Article and Find Full Text PDFPhys Rev E
May 2024
Department of Applied Physics, Hong Kong Polytechnic University, Hong Kong, China.
Glass formers are, in general, classified as strong or fragile depending on whether their relaxation rates follow Arrhenius or super-Arrhenius temperature dependence. There are, however, notable exceptions, such as water, which exhibit a fragile-to-strong (FTS) transition and behave as fragile and strong, respectively, at high and low temperatures. In this work, the FTS transition is studied using a distinguishable-particle lattice model previously demonstrated to be capable of simulating both strong and fragile glasses [C.
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