Publications related to Equilibrium chemistry

HaloTag-Based Tools for Live-Cell Imaging and Elucidation of Organellar Redox Biology

Redox homeostasis is a key factor in maintaining cellular function and health. The main determinant of the intracellular redox potential is ubiquitous glutathione (GSH) together with its oxidized dimer (GSSG). Importantly, both redox equilibrium and GSH ho ...

EPFL2024

Excited State-Specific CASSCF Theory for the Torsion of Ethylene

State-specific complete active space self-consistent field (SS-CASSCF) theory has emerged as a promising route to accurately predict electronically excited energy surfaces away from molecular equilibria. However, its accuracy and practicality for chemical ...

Amer Chemical Soc2024

Backtracking Dynamical Cavity Method

Lenka Zdeborová, Freya Behrens, Barbora Hudcová

The cavity method is one of the cornerstones of the statistical physics of disordered systems such as spin glasses and other complex systems. It is able to analytically and asymptotically exactly describe the equilibrium properties of a broad range of mode ...

American Physical Society2023

Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy

Rainer Beck, Mateusz Suchodol, Harmina Vejayan

The presence of chemisorbed oxygen on the Cu(111) surface is known to strongly reduce the activation barrier for water dissociation as compared to bare Cu(111). Here, we present direct experimental evidence for the hydrogen abstraction mechanism responsibl ...

2023

Structure analysis of beta dicalcium silicate via scanning transmission electron microscope (STEM)

Franco Alberto Zunino Sommariva, Qiao Wang, Junying Zhao, Chaoqi Shi

Beta-dicalcium silicate (beta-C2S), one of the main phases in Portland cement clinker, offers some promising overviews regarding CO2 and energy savings potential compared to alite. Understanding the crystalline structure and reactive sites on beta-C2S surf ...

ELSEVIER SCI LTD2022

Acidity and the multiphase chemistry of atmospheric aqueous particles and clouds

Athanasios Nenes

The acidity of aqueous atmospheric solutions is a key parameter driving both the partitioning of semi-volatile acidic and basic trace gases and their aqueous-phase chemistry. In addition, the acidity of atmospheric aqueous phases, e.g., deliquesced aerosol ...

Copernicus GmbH2021

A Champion for Chemistry: Elements of Jim Morgan's Intellectual Legacy

Janet Gordon Hering

James (Jim) Morgan was a leading figure in the field of environmental science and engineering. He championed the application of chemistry in the study of the environment and the design and optimization of environmental treatment processes. Jim influenced t ...

AMER CHEMICAL SOC2021

Dissipation-Driven Selection under Finite Diffusion: Hints from Equilibrium and Separation of Time Scales

Paolo De Los Rios, Shiling Liang, Daniel Maria Busiello

When exposed to a thermal gradient, reaction networks can convert thermal energy into the chemical selection of states that would be unfavourable at equilibrium. The kinetics of reaction paths, and thus how fast they dissipate available energy, might be do ...

MDPI2021

Thermodynamics and kinetics of protonated merocyanine photoacids in water

Rosario Scopelliti, Kay Severin, Farzaneh Fadaei Tirani, Euro Solari, Daniel Maria Busiello, Cristian Pezzato, Stefano Zamuner, Cesare Berton

Metastable-state photoacids (mPAHs) are chemical species whose photo-activated state is long-lived enough to allow for proton diffusion. Liao's photoacid (1) represents the archetype of mPAHs, and is being widely used on account of its unique capability to ...

2020

Out-of-equilibrium phase diagram of long-range superconductors

Within the ultimate goal of classifying universality in quantum many-body dynamics, understanding the relation between out-of-equilibrium and equilibrium criticality is a crucial objective. Models with power-law interactions exhibit rich well-understood cr ...

2020

Re-entry survival analysis and ground risk assessment of space debris considering by-products generation

Pénélope Leyland, Stefano Mischler, Seong-Hyeon Park

Space debris that re-enter the Earth's atmosphere can be partially or fully ablated along the trajectory path after hitting the atmosphere layers, once these become denser (approximately below 82 km). This paper combines re-entry survival analysis to by-pr ...

2020

Influence of pH on the chloride binding capacity of Limestone Calcined Clay Cements (LC3)

Karen Scrivener, François Henri Avet

The high solution to solid ratio normally used for the measurement of chloride binding isotherms, leads to a leaching of ions and a decrease of pH. To make binding test more representative of on-site conditions, we investigated the influence of the increas ...

Pergamon-Elsevier Science Ltd2020

Kinetic Competition between Water-Splitting and Photocorrosion Reactions in Photoelectrochemical Devices

Sophia Haussener, Fredy Intelligent Nandjou Dongmeza

Semiconductor photocorrosion is a major challenge for the stability of photoelectrochemical water-splitting devices. Usually, photocorrosion is studied on the basis of thermodynamic aspects, by comparing the redox potentials of water to the self-decomposit ...

2019

Steam Gasification of Carbonaceous Feedstocks via a 1.5 kWth Hybrid Solar/Autothermal Reactor

Sophia Haussener, Iacopo Guscetti

A continuous method of steam gasification through hybridization of a solar reactor with an autothermal gasification process is proposed and tested. The ability to autothermally gasify a carbonaceous feedstock within a solar reactor enables round-the-clock ...

AMER INST PHYSICS2019

Structural Snapshots of Cluster Growth from {U6 } to {U38 } During the Hydrolysis of UCl4

Marinella Mazzanti, Farzaneh Fadaei Tirani, Lucile Sylvie Danielle Chatelain, Radmila Faizova

Herein we report the assembly of large uranium(IV) clusters with novel nuclearities and/or shapes from the controlled hydrolysis of UCl4 in organic solution and in the presence of the benzoate ligands. {U6}, {U13}, {U16}, {U24}, {U38} oxo and oxo/hydroxo c ...

Wiley-VCH Verlag GmbH2019

Entropy production in master equations and Fokker-Planck equations: facing the coarse-graining and recovering the information loss

Daniel Maria Busiello, Amos Maritan

Systems operating out of equilibrium exchange energy and matter with the environment, thus producing entropy in their surroundings. Since the entropy production depends on the current flowing throughout the system, its quantification is affected by the lev ...

2019

Mechanistic Study of the N-Formylation of Amines with Carbon Dioxide and Hydrosilanes

Paul Joseph Dyson, Gabor Laurenczy, Martin Hulla

N-formylation of amines with CO2 and hydrosilane reducing agents proceeds via fast and complex chemical equilibria, which hinder easy analysis of the reaction pathways. In situ reaction monitoring and kinetic studies reveal that three proposed pathways, vi ...

2018

Nanoparticles and method for producing uniform silicate-based nanoparticles

Paul Bowen, Abhishek Kumar

Nanoparticles and method for producing uniform silicate-based nanoparticles are disclosed. The method comprises a step of injecting into tubular branched elements comprising static mixers a first aqueous solution comprising a water-soluble silicate compoun ...

2018

Selective Catalytic Reduction of NOx

Oliver Kröcher

The deactivation pathways of sulfonated carbon catalysts prepared from different carbons were studied during the aqueous‐phase hydrolysis of cellobiose under continuous‐flow conditions. The sulfonation of carbon materials with a low degree of graphitizatio ...

2018

Magnesium Partitioning Between Earth's Mantle and Core and its Potential to Drive an Early Exsolution Geodynamo

James Badro

Magnesium partitioning between metal and silicate was experimentally investigated between 34 and 138GPa, 3,500 and 5,450K using laser-heated diamond anvil cells. The 22 measurements are combined with previously published data (total of 49 measurements) to ...

AMER GEOPHYSICAL UNION2018