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Nuclear Quantum Effects in Sodium Hydroxide Solutions from Neural Network Molecular Dynamics Simulations

Related publications (33)

In Situ Monitoring of the Surface Evolution of a Silver Electrode from Polycrystalline to Well-Defined Structures

Capturing the surface-structural dynamics of metal electrocatalysts under certain electrochemical environments is intriguingly desired for understanding the behavior of various metal-based electrocatalysts. However, in situ monitoring of the evolution of a ...

AMER CHEMICAL SOC2022

Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)

Karen Scrivener, Barbara Lothenbach, Yu Yan, Émilie Michèle L'Hôpital, Sheng-Yu Yang

This paper investigates the effect of KOH and NaOH on C-S-H structure and solubility. Both KOH and NaOH have a similar effect, they increase pH values and silicon concentrations, and decrease calcium concentrations. At higher alkali hydroxide concentration ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Effect of alkali, aluminium and equilibration time on calcium-silicate-hydrates

Yu Yan

Calcium silicate hydrate (C-S-H) is the main hydration product in Portland and blended cements, and greatly affects durability and mechanical properties of the hydrated cement. In the presence of Al-rich supplementary cementitious materials (SCMs), C-(A-)S ...

EPFL2022

Molecular ordering effects in bulk and at lipid/water nanoscopic interfaces: A story of water, light, and order

Nathan Dupertuis

Water is ubiquitous on Earth, playing a critical role for a plethora of structures, processes and chemical reactions in nature. Its unique physicochemical properties originate mainly from its hydrogen bond network. Despite its recognized importance, many a ...

EPFL2021

Revisiting Cation Complexation and Hydrogen Bonding of Single-Chain Polyguluronate Alginate

Modifying the properties of bio-based materials has garnered increasing interest in recent years. In related applications, the ability of alginates to complex with metal ions has been shown to be effective in liquid-to-gel transitions, useful in the develo ...

2021

The effect of sodium hydroxide on Al uptake by calcium silicate hydrates (C S H)

Christian Ludwig, Barbara Lothenbach, Sonya Barzgar, Mohamed Tarik, Alessio Di Giacomo

To reduce the CO2 emissions from cement production, Portland cement (PC) is partially replaced by supplementary cementitious materials (SCM). Reactions of SCM with PC during hydration leads to the formation of CSH with more silicon and aluminum than in PC, ...

2020

Transforming Phosphogypsum Waste into Products with Market Value

Vast amounts of phosphogypsum (PG) which is a by-product of phosphorous acid production from apatite rock using sulphuric acid, are deposited in large piles at many locations worldwide. PG materials are added at rates of the order of megatonnes (Mt) per an ...

Paul Scherrer Institute, World Resources Forum2019

Optimizing Mesostructured Silver Catalysts for Selective Carbon Dioxide Conversion into Fuels

Sophia Haussener, Silvan Suter

Mesostructured silver catalysts have shown a substantial rise in reaction selectivity for the conversion of CO2 into fuels with increasing thickness of ordered, inverse-opal films. The challenge lies in the optimization of the morphology to maximize the CO ...

2019

Solar-Electrochemical Devices for Water Splitting and Chlorine Generation

Enrico Chinello

Solar technologies hold the potential to ultimately counteract the effects of climate change. Nevertheless, the intermittency of sunlight poses technical challenges regarding the storage of the surplus production and the supply of the deficit. The generat ...

EPFL2019

Temperature dependence of water-water and ion-water correlations in bulk water and electrolyte solutions probed by femtosecond elastic second harmonic scattering

Sylvie Roke, Nathan Dupertuis, Yixing Chen, Halil Ibrahim Okur

The temperature dependence of the femtosecond elastic second harmonic scattering (fs-ESHS) response of bulk light and heavy water and their electrolyte solutions is presented. We observe clear temperature dependent changes in the hydrogen (H)-bond network ...

2018

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