Publications associées à Modeling of amino acid nanofiltration by irreversible thermodynamics

First-principles thermodynamics of precipitation in aluminum-containing refractory alloys

Materials for high -temperature environments are actively being investigated for deployment in aerospace and nuclear applications. This study uses computational approaches to unravel the crystallography and thermodynamics of a promising class of refractory ...

Pergamon-Elsevier Science Ltd2024

Advances in hydration and thermodynamics of cementitious systems

Patrick Juilland, Karen Scrivener, Aslam Kunhi Mohamed, Thomas Matschei, Fabien Jacques Michel Georget

Optimising the hydration of cementitious materials is crucial to leverage their full potential and avoid wasting resources, embodied energy and CO2. Understanding the fundamental mechanisms is key to reach these objectives. In this paper, we review progres ...

Pergamon-Elsevier Science Ltd2023

First-Principles Thermodynamics of CsSnI3

Nicola Marzari, Lorenzo Monacelli

CsSnI3 is a promising ecofriendly solution for energy harvesting technologies. It exists at room temperature in either a black perovskite polymorph or a yellow 1D double-chain, which irreversibly deteriorates in the air. In this work, we unveil the relativ ...

AMER CHEMICAL SOC2023

Increasing the Energy Efficiency of Gas Boosters for Hydrogen Storage and for Refueling Stations

Alfred Rufer

A new electrically driven gas booster is described as an alternative to the classical air-driven gas boosters known for their poor energetic efficiency. These boosters are used in small scale Hydrogen storage facilities and in refueling stations for Hydrog ...

MDPI2023

Pretreatment options for micropollutant abatement before aquifer recharge in drinking water production: Assessment of UV/H2O2 and dense membranes

Robin Wünsch

Micropollutants (MP) such as residues of pharmaceuticals, industrial chemicals or pesticides can be detected in almost all water resources. Various processes can be used to abate them in drinking water treatment, e.g., ozonation, advanced oxidation process ...

EPFL2022

Synthetic chemistry with nitrous oxide and triazenes

Iris Roswitha Landman

Nitrous oxide (N2O) has gained much interest because of its physiological effects ("laughing gas") and its negative environmental impact ("greenhouse gas", "ozone-depleting substance"): It has a lifetime of more than 100 years in the atmosphere. Its persis ...

EPFL2022

Two-dimensional atomically bridged nanoporous silicate-based membranes for gas separation

Mostapha Dakhchoune

The synthesis of molecular-sieving two-dimensional zeolitic membranes by the assembly of crystalline building blocks without resorting to the secondary growth process is highly desirable. The precise pore size for molecular sieving, ultrathin thickness, an ...

EPFL2021

A genome-scale metabolic model of Saccharomyces cerevisiae that integrates expression constraints and reaction thermodynamics

Ljubisa Miskovic, Vassily Hatzimanikatis, Pierre Guy Rémy Salvy, Maria Masid Barcon, Mohammadomid Oftadeh

Eukaryotic organisms play an important role in industrial biotechnology, from the production of fuels and commodity chemicals to therapeutic proteins. To optimize these industrial systems, a mathematical approach can be used to integrate the description of ...

Nature Portfolio2021

Equilibrium and non-equilibrium furanose selection in the ribose isomerisation network

Paolo De Los Rios, Francesco Piazza, Shiling Liang, Daniel Maria Busiello

The exclusive presence of beta -D-ribofuranose in nucleic acids is still a conundrum in prebiotic chemistry, given that pyranose species are substantially more stable at equilibrium. However, a precise characterisation of the relative furanose/pyranose fra ...

Nature Research2021

Repair or Degrade: the Thermodynamic Dilemma of Cellular Protein Quality-Control

Paolo De Los Rios, Bruno Claude Daniel Fauvet, Satyam Tiwari, Mathieu Rebeaud, Pierre Goloubinoff

Life is a non-equilibrium phenomenon. Owing to their high free energy content, the macromolecules of life tend to spontaneously react with ambient oxygen and water and turn into more stable inorganic molecules. A similar thermodynamic picture applies to th ...

FRONTIERS MEDIA SA2021

The Pristine survey - XIV. Chemical analysis of two ultra-metal-poor stars

Pascale Jablonka, Carmela Lardo

Elemental abundances of the most metal-poor stars reflect the conditions in the early Galaxy and the properties of the first stars. We present a spectroscopic follow-up of two ultra-metal-poor stars ([Fe/H] < -4.0) identified by the survey Pristine: Pristi ...

OXFORD UNIV PRESS2021

Development of free-boundary equilibrium and transport solvers for simulation and real-time interpretation of tokamak experiments

Francesco Carpanese

To exploit fusion as a source of energy, a hot and dense confined plasma is needed. This is achieved in tokamaks by actively controlling the plasma state meaning shape, position and internal kinetic profiles. This thesis addresses two topics: the developme ...

EPFL2021

The formation of the milky way halo and its dwarf satellites: a NLTE-1D abundance analysis. IV. Segue 1, Triangulumii, and Coma Berenices UFDs

Pascale Jablonka

We present atmospheric parameters and abundances for chemical elements from carbon to barium in metal-poor stars in Segue 1 (seven stars), Coma Berenices (three stars), and Triangulum II (one star) ultrafaint dwarf galaxies (UFDs). The effective temperatur ...

OXFORD UNIV PRESS2021

Non-equilibrium kinetics and trajectory thermodynamics of synthetic molecular pumps

Cristian Pezzato

A major goal in the design of synthetic molecular machines is the creation of pumps that can use the input of energy to transport material from a reservoir at low chemical potential to a different reservoir at higher chemical potential, thereby forming and ...

ROYAL SOC CHEMISTRY2020

From the Principle of Inertia to the Death Drive: The Influence of the Second Law of Thermodynamics on the Freudian Theory of the Psychical Apparatus

Jean-Philippe Ansermet, Pierre Magistretti

In the Freudian theory of the psychical apparatus, the introduction from the 1920s onward of the second drive dualism appears as a major turning point. The idea of a "death drive," first expressed in Beyond the Pleasure Principle (Freud, 1920), is generall ...

Frontiers Media2020

3D Ordering at the Liquid-Solid Polar Interface of Nanowires

Cécile Hébert, Duncan Thomas Lindsay Alexander, Anna Fontcuberta i Morral, Gözde Tütüncüoglu, Nicolas Tappy, Martin George Friedl, Michele Ceriotti, Luca Francaviglia, Giulio Imbalzano, Mahdi Zamani, Lea Ghisalberti, Sara Marti Sanchez

The nature of the liquid-solid interface determines the characteristics of a variety of physical phenomena, including catalysis, electrochemistry, lubrication, and crystal growth. Most of the established models for crystal growth are based on macroscopic t ...

Wiley2020

Synthesis of grid compliant substitute natural gas from a representative biogas mixture in a hybrid Ni/Ru catalysed reactor

Alexandre Borsay, Andreas Züttel, Robin Tobias Andreas Mutschler, Marco Calizzi, Emanuele Moioli

We demonstrate biogas upgrading towards full CO2 conversion in mild conditions in a three-step reactor system using Ru- and Ni-based catalysts. In each of the three reactor stages, the temperature is carefully controlled, thus optimizing the reaction therm ...

2020

The ETFL formulation allows multi-omics integration in thermodynamics-compliant metabolism and expression models

Vassily Hatzimanikatis, Pierre Guy Rémy Salvy

Systems biology has long been interested in models capturing both metabolism and expression in a cell. We propose here an implementation of the metabolism and expression model formalism (ME-models), which we call ETFL, for Expression and Thermodynamics Flu ...

Nature Research2020

Effective stress jump across membranes

François Gallaire, Giuseppe Antonio Zampogna

A macroscopic condition to simulate the interaction between an incompressible fluid flow and a permeable micro-structured rigid surface (i.e. a thin membrane) has been developed using multiscale homogenization and matching asymptotic expansions between the ...

Cambridge University Press2020

Version 1 of a sea ice module for the physics-based, detailed, multi-layer SNOWPACK model

Michael Lehning, Nander Wever, Katherine Colby Leonard

Sea ice is an important component of the global climate system. The presence of a snowpack covering sea ice can strongly modify the thermodynamic behavior of the sea ice, due to the low thermal conductivity and high albedo of snow. The snowpack can be stra ...

COPERNICUS GESELLSCHAFT MBH2020