Instituto de Ciencias de La Construcción Eduardo Torroja

output

20072024

most citedArsenite sorption and co-precipitation with calcite

175 citations

5 papers

cond-mat.mtrl-sci2024★ 148 cited

Producing C-S-H gel by reaction between silica oligomers and portlandite: A promising approach to repair cementitious materials

Rafael Zarzuela, Manuel Luna, Luis M. Carrascosa +6

Impregnation treatments are one of the alternatives to protect concrete-based building and monuments from weathering degradation. However, it is important to consider the chemical…

cond-mat.mtrl-sci2011★ 73 cited

Ab-initio molecular dynamics simulation of hydrogen diffusion in $α$ -iron

J. Sanchez, F. Fullea, M. C. Andrade +1

First-principles atomistic molecular dynamics simulation in the micro-canonical and canonical ensembles has been used to study the diffusion of interstitial hydrogen in $α$ -iron. H…

cond-mat.mtrl-sci2011★ 86 cited

Hydrogen in $α$ -iron: stress and diffusion

J. Sanchez, J. Fullea, C. Andrade +1

First-principles density-functional theory has been used to investigate equilibrium geometries, total energies, and diffusion barriers for H as an interstitial impurity absorbed in…

physics.chem-ph2008★ 175 cited

Arsenite sorption and co-precipitation with calcite

Gabriela Roman-Ross, Gabriel Cuello, Xavier Turrillas +2

Sorption of As(III) by calcite was investigated as a function of As(III) concentration, time and pH. The sorption isotherm, i.e. the log As(III) vs. log [As(OH)3 degrees / Assat] p…

physics.chem-ph2007★ 60 cited

Arsenic uptake by gypsum and calcite: Modeling and probing by neutron and x-ray scattering

Alejandro Fernandez-Martinez, Gabriel J. Cuello, Gabriela Roman-Ross +4

Here we report on two structural studies performed on As-doped gypsum (CaSO4 2H2O) and calcite (CaCO3), using neutron (D20-ILL) and x-ray (ID11-ESRF) diffraction data and EXAFS (BM…