scholarly journals Quantitative X-ray pair distribution function analysis of nanocrystalline calcium silicate hydrates: a contribution to the understanding of cement chemistry

2017 ◽  
Vol 50 (1) ◽  
pp. 14-21 ◽  
Author(s):  
Sylvain Grangeon ◽  
Alejandro Fernandez-Martinez ◽  
Alain Baronnet ◽  
Nicolas Marty ◽  
Agnieszka Poulain ◽  
...  

The structural evolution of nanocrystalline calcium silicate hydrate (C–S–H) as a function of its calcium to silicon (Ca/Si) ratio has been probed using qualitative and quantitative X-ray atomic pair distribution function analysis of synchrotron X-ray scattering data. Whatever the Ca/Si ratio, the C–S–H structure is similar to that of tobermorite. When the Ca/Si ratio increases from ∼0.6 to ∼1.2, Si wollastonite-like chains progressively depolymerize through preferential omission of Si bridging tetrahedra. When the Ca/Si ratio approaches ∼1.5, nanosheets of portlandite are detected in samples aged for 1 d, while microcrystalline portlandite is detected in samples aged for 1 year. High-resolution transmission electron microscopy imaging shows that the tobermorite-like structure is maintained to Ca/Si > 3.

RSC Advances ◽  
2017 ◽  
Vol 7 (59) ◽  
pp. 37402-37411 ◽  
Author(s):  
U. P. Gawai ◽  
B. N. Dole

The atomic structures of nanowires were studied by X-ray atomic pair distribution function analysis and total synchrotron X-ray scattering data. A PDF method was used to describe a wurtzite and zinc-blended mixed phase model.


2013 ◽  
Vol 15 (22) ◽  
pp. 8480 ◽  
Author(s):  
Xiaohao Yang ◽  
Ahmad S. Masadeh ◽  
James R. McBride ◽  
Emil S. Božin ◽  
Sandra J. Rosenthal ◽  
...  

2011 ◽  
Vol 115 (15) ◽  
pp. 7723-7728 ◽  
Author(s):  
Hyunjeong Kim ◽  
Jin Nakamura ◽  
Huaiyu Shao ◽  
Yumiko Nakamura ◽  
Etsuo Akiba ◽  
...  

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.


Sign in / Sign up

Export Citation Format

Share Document