Publications related to Thermodynamic diagrams

Unique corrosion behavior of an archaeological Roman iron ring: Microchemical characterization and thermodynamic considerations

The corrosion mechanisms of a Roman iron bezel ring were investigated by in-depth characterization of its uncommon corrosion pattern and thermodynamic modelling. A silver foil and altered glass remnants were identified, covered with thick strata of magneti ...

2024

Comparison of regression techniques for generating surrogate models to predict the thermodynamic behavior of biomass gasification systems

François Maréchal, Daniel Alexander Florez Orrego, Julia Granacher, Meire Ellen Gorete Ribeiro Domingos

Biomass resources can play an important role in the energy transition, being a dynamic feedstock that can be transformed either into solid, liquid or gaseous fuels. The biomass gasification is a versatile way to convert wastes into energy. In this work, th ...

Elsevier2023

Twisting instabilities in elastic ribbons with inhomogeneous pre-stress: A macroscopic analog of thermodynamic phase transition

Pedro Miguel Nunes Pereira de Almeida Reis, Michael Christopher Gomez

We study elastic ribbons subject to large, tensile pre-stress confined to a central region within the cross-section. These ribbons can buckle spontaneously to form helical shapes, featuring regions of alternating chirality (phases) that are separated by so ...

PERGAMON-ELSEVIER SCIENCE LTD2023

Precipitation, Characterization, Kinetic, and Thermodynamic Modelling of Synthetic C-S-H Systems (C-S-H, CASH, CSH+$)

Maya Nicole Harris

This thesis investigates the effects of aluminates, sulfates, and heterogeneous substrates on the nucleation and growth of synthetic calcium-silicate-hydrates (C-S-H) produced by dropwise precipitation. The use of synthetic C-S-H, separate from other cemen ...

EPFL2022

Temperature Dependent Properties of the Aqueous Electron

Alfredo Pasquarello, Jinggang Lan

The temperature-dependent properties of the aqueous electron have been extensively studied using mixed quantum-classical simulations in a wide range of thermodynamic conditions based on one-electron pseudopotentials. While the cavity model appears to expla ...

Wiley-VCH Verlag GmbH2022

Hole-induced anomaly in the thermodynamic behavior of a one-dimensional Bose gas

Riccardo Rota

We reveal an intriguing anomaly in the temperature dependence of the specific heat of a one-dimensional Bose gas. The observed peak holds for arbitrary interaction and remembers a superfluid-to-normal phase transition in higher dimensions, but phase transi ...

SCIPOST FOUNDATION2022

Organic Rankine Cycle as the Waste Heat Recovery Unit of Solid Oxide Fuel Cell: A Novel System Design for the Electric Vehicle Charging Stations Using Batteries as a Backup/Storage Unit

Jan Van Herle, Hossein Pourrahmani, Chengzhang Xu

The novelty of this study is to suggest a novel design for electric vehicle charging stations using fuel cell technology. The proposed system benefits from the Organic Rankine Cycle (ORC) to utilize the exhaust energy of the Solid Oxide Fuel Cell (SOFC) st ...

MDPI2022

Transferable machine-learning models of complex materials: the case of GaAs

Giulio Imbalzano

Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...

EPFL2021

Historical Changes in Seasonal Aerosol Acidity in the Po Valley (Italy) as Inferred from Fog Water and Aerosol Measurements

Athanasios Nenes, Spyros Pandis

Acidity profoundly affects almost every aspect that shapes the composition of ambient particles and their environmental impact. Thermodynamic analysis of gas-particle composition datasets offers robust estimates of acidity, but they are not available for l ...

AMER CHEMICAL SOC2021

Thermodynamic analysis of a tri-generation system using SOFC and HDH desalination unit

Jan Van Herle, Hossein Pourrahmani

The lack of freshwater in many countries pushes authorities to utilize desalination units. Solid Oxide Fuel Cells (SOFC) have shown promising results to provide the power to establish a multi-generation system using hydrogen as a renewable source. In this ...

2021

Electric vehicle charging station using fuel cell technology: Two different scenarios and thermodynamic analysis

Jan Van Herle, Martin Daniel Gay, Hossein Pourrahmani

This study evaluates two different scenarios of an integrated system to generate electricity for a charging station using proton exchange membrane fuel cell (PEMFC) and solid oxide fuel cell (SOFC). To improve the efficiency, the exhaust heat of these two ...

ELSEVIER2021

Performance assessment of low-cost environmental monitors and single sensors under variable indoor air quality and thermal conditions

Dusan Licina

Recent technological advancements have enabled the development and deployment of low-cost consumer grade monitors for ubiquitous and time-resolved indoor air quality monitoring. With their reliable performance, this technology could be instrumental in enha ...

2020

Using High-Temporal-Resolution Ambient Data to Investigate Gas-Particle Partitioning of Ammonium over Different Seasons

Athanasios Nenes, Qianyu Zhao, Yan Feng

Ammonium is one of the dominant inorganic water-soluble ions in fine particulate matter (PM2.5). In this study, source apportionment and thermodynamic equilibrium models were used to analyze the relationship between pH and the partitioning of ammonium (eps ...

AMER CHEMICAL SOC2020

Inexpensive modeling of quantum dynamics using path integral generalized Langevin equation thermostats

Michele Ceriotti, David Mark Wilkins, Venkat Kapil, Jinggang Lan

The properties of molecules and materials containing light nuclei are affected by their quantum mechanical nature. Accurate modeling of these quantum nuclear effects requires computationally demanding path integral techniques. Considerable success has been ...

2020

Characterising Structure and Stability of Materials using Machine Learning

Andrea Anelli

The search of novel materials using in-silico high-throughput screening is emerging as a fundamental step in the pipeline of materials discovery, but its low yields in terms of synthesisable structures limit its effectiveness. In order to isolate configura ...

EPFL2020

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

Michael Lehning, Katherine Colby Leonard, Nander Wever

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

Cloud condensation nuclei activity of six pollenkitts and the influence of their surface activity

Athanasios Nenes

The role of surfactants in governing water interactions of atmospheric aerosols has been a recurring topic in cloud microphysics for more than two decades. Studies of detailed surface thermodynamics are limited by the availability of aerosol samples for ex ...

Copernicus Publications2019

Effects of water-soluble organic carbon on aerosol pH

Athanasios Nenes

Water-soluble organic carbon (WSOC) is a ubiquitous and significant fraction of fine particulate matter. Despite advances in aerosol thermodynamic equilibrium models, there is limited understanding on the comprehensive impacts of WSOC on aerosol acidity (p ...

Copernicus GmbH2019

Dynamic wetting in pressure-infiltration of ceramic particle preforms by molten metal

Gionata Schneider

This thesis investigates the interaction between mechanically induced flow of a liquid metal into a porous solid, and kinetic effects at the triple line. The approach is experimental and focuses on metal-ceramic systems for which the literature gives value ...

EPFL2019

Flat-Histogram Monte Carlo as an Efficient Tool To Evaluate Adsorption Processes Involving Rigid and Deformable Molecules

Berend Smit, Matthew David Witman

Monte Carlo simulations are the foundational technique for predicting thermodynamic properties of open systems where the process of interest involves the exchange of particles. Thus, they have been used extensively to computationally evaluate the adsorptio ...

2018