The Dissociated Amorphous Silica Surface: Model Development and Evaluation

2010 ◽  
Vol 6 (11) ◽  
pp. 3456-3471 ◽  
Author(s):  
Ali A. Hassanali ◽  
Hui Zhang ◽  
Chris Knight ◽  
Yun Kyung Shin ◽  
Sherwin J. Singer
Keyword(s):  
Amorphous Silica ◽  
Silica Surface ◽  
Model Development ◽  
Surface Model

Grafting Strategy to Develop Single Site Titanium on an Amorphous Silica Surface

Langmuir ◽  
2009 ◽  
Vol 25 (12) ◽  
pp. 7148-7155 ◽  
Author(s):  
M. C. Capel-Sanchez ◽  
G. Blanco-Brieva ◽  
J. M. Campos-Martin ◽  
M. P. de Frutos ◽  
W. Wen ◽  
...  
Keyword(s):  
Amorphous Silica ◽  
Silica Surface ◽  
Single Site

scholarly journals Hydroxylated crystalline edingtonite silica faces as models for the amorphous silica surface

2008 ◽  
Vol 117 ◽  
pp. 012026 ◽  
Author(s):  
S Tosoni ◽  
B Civalleri ◽  
F Pascale ◽  
P Ugliengo
Keyword(s):  
Amorphous Silica ◽  
Silica Surface

scholarly journals Spatio-Temporal Evaluation of Water Storage Trends from Hydrological Models over Australia Using GRACE Mascon Solutions

2020 ◽  
Vol 12 (21) ◽  
pp. 3578
Author(s):  
Xinchun Yang ◽  
Siyuan Tian ◽  
Wei Feng ◽  
Jiangjun Ran ◽  
Wei You ◽  
...  
Keyword(s):  
Land Surface ◽  
Model Development ◽  
Water Storage ◽  
Validation Dataset ◽  
Surface Model ◽  
Hydrological Models ◽  
Infiltration Capacity ◽  
Australian Water ◽  
Community Land Model ◽  
Spatio Temporal

The Gravity Recovery and Climate Experiment (GRACE) data have been extensively used to evaluate the total terrestrial water storage anomalies (TWSA) from hydrological models. However, which individual water storage components (i.e., soil moisture storage anomalies (SMSA) or groundwater water storage anomalies (GWSA)) cause the discrepancies in TWSA between GRACE and hydrological models have not been thoroughly investigated or quantified. In this study, we applied GRACE mass concentration block (mascon) solutions to evaluate the spatio-temporal TWSA trends (2003–2014) from seven prevailing hydrological models (i.e., Noah-3.6, Catchment Land Surface Model (CLSM-F2.5), Variable Infiltration Capacity macroscale model (VIC-4.1.2), Water—Global Assessment and Prognosis (WaterGAP-2.2d), PCRaster Global Water Balance (PCR-GLOBWB-2), Community Land Model (CLM-4.5), and Australian Water Resources Assessment Landscape model (AWRA-L v6)) in Australia and, more importantly, identified which individual water storage components lead to the differences in TWSA trends between GRACE and hydrological models. The results showed that all of the hydrological models employed in this study, except for CLM-4.5 model, underestimated the GRACE-derived TWSA trends. These underestimations can be divided into three categories: (1) ignoring GWSA, e.g., Noah-3.6 and VIC-4.1.2 models; (2) underrating both SMSA and GWSA, e.g., CLSM-F2.5, WaterGAP-2.2d, and PCR-GLOBWB-2 models; (3) deficiently modeling GWSA, e.g., AWRA-L v6 model. In comparison, CLM-4.5 model yielded the best agreement with GRACE but overstated the GRACE-derived TWSA trends due to the overestimation of GWSA. Our results underscore that GRACE mascon solutions can be used as a valuable and efficient validation dataset to evaluate the spatio-temporal performance of hydrological models. Confirming which individual water storage components result in the discrepancies in TWSA between GRACE and hydrological models can better assist in further hydrological model development.

Models for biomedical interfaces: a computational study of quinone-functionalized amorphous silica surface features

2017 ◽  
Vol 19 (11) ◽  
pp. 7793-7806 ◽  
Author(s):  
Marta Corno ◽  
Massimo Delle Piane ◽  
Patrick Choquet ◽  
Piero Ugliengo
Keyword(s):  
Amorphous Silica ◽  
Silica Surface ◽  
Computational Study ◽  
Antimicrobial Properties ◽  
Surface Features ◽  
Silica Surfaces

The structural and IR features of amorphous silica surfaces, functionalized by ortho-benzoquinone groups, were computed to obtain a deeper knowledge of multifunctional coatings with antimicrobial properties.

DFT Investigation into Alumina ALD Growth Inhibition on Hydroxylated Amorphous Silica Surface

2015 ◽  
Vol 119 (32) ◽  
pp. 18380-18388 ◽  
Author(s):  
Aditya Shankar Sandupatla ◽  
Konstantinos Alexopoulos ◽  
Marie-Françoise Reyniers ◽  
Guy B. Marin
Keyword(s):  
Growth Inhibition ◽  
Amorphous Silica ◽  
Silica Surface

Ni and CO Used as Probes of the Amorphous Silica Surface: IR and Theoretical Studies of Dicarbonyl NiIIComplexes†

2003 ◽  
Vol 107 (25) ◽  
pp. 6096-6104 ◽  
Author(s):  
Gianmario Martra ◽  
Salvatore Coluccia ◽  
Michel Che ◽  
Laurent Manceron ◽  
Maggy Kermarec ◽  
...  
Keyword(s):  
Amorphous Silica ◽  
Silica Surface ◽  
Theoretical Studies

Hydrolysis of the amorphous silica surface. II. Calculation of activation barriers and mechanisms

2000 ◽  
Vol 113 (20) ◽  
pp. 9191-9201 ◽  
Author(s):  
Tiffany R. Walsh ◽  
Mark Wilson ◽  
Adrian P. Sutton
Keyword(s):  
Amorphous Silica ◽  
Silica Surface ◽  
Activation Barriers ◽  
Hydrolysis Of
Sign in / Sign up

Export Citation Format

Share Document