Publications related to Reversible process (thermodynamics)

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

Stability of a liquid layer draining around a horizontal cylinder: Interplay of capillary and gravity forces

François Gallaire, Shahab Eghbali, Simeon Vladimirov Djambov

We study the drainage of a viscous liquid film coating the outside of a solid horizontal cylinder, where gravity acts vertically. We focus on the limit of large Ohnesorge numbers Oh, where inertia is negligible compared to viscous effects. We first study t ...

Amer Physical Soc2024

Process modeling and integration of hydrogen and synthetic natural gas production in a kraft pulp mill via black liquor gasification

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

The black liquor gasification integrated to chemical plants has shown potential for reducing the process irreversibility and promoting the decarbonization of this industrial sector. In the integrated chemical plants proposed in this work, the purpose is co ...

Pergamon-Elsevier Science Ltd2023

Selection and Optimal Use of Nanoporous Materials for Adsorption Energy Technologies

Emanuele Piccoli

Due to the large waste of heat in the power and industrial sectors, our use of energy is inefficient. Moreover, it relies on rapidly depleting and greenhouse-gas-emitting sources such as fossil fuels. While the scarcity of energy resources is a relevant so ...

EPFL2023

Spray-Assisted Formation of Micrometer-Sized Emulsions

Esther Amstad, Mathias Steinacher

Emulsion drops with defined sizes are frequently used to conduct chemical reactions on picoliter scales or as templates to form microparticles. Despite tremendous progress that has been achieved in the production of emulsions, the high throughput formation ...

AMER CHEMICAL SOC2022

Techno-economic and environmental analysis of methanol and dimethyl ether production from syngas in a kraft pulp process

François Maréchal, Daniel Alexander Florez Orrego

The conventional configuration of a pulp mill, in which black liquor is concentrated and burnt, is compared to the upgrading gasification routes for methanol (MeOH) or dimethyl ether (DME) co-production. To this end, various exergy-based and environmental ...

PERGAMON-ELSEVIER SCIENCE LTD2022

Luminescent and electronic properties of perovskite solar cells

Brian Irving Carlsen

Perovskite solar cells show great promise to serve as an alternative for traditional silicon-based solar cells, however several problems present obstacles for their commercialization. Standard perovskite cells contain lead, which is toxic to humans and har ...

EPFL2022

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

Working on mobility from people

Vincent Kaufmann

Describing, understanding, explaining and regulating mobility requires transversal approaches. Traditionally, mobility analysis proceeds by partitioning into four differentiated forms according to two dimensions: the temporality of which it is based and th ...

Routledge2021

Load bearing device

Corentin Jean Dominique Fivet, Jan Friedrich Georg Brütting, Dario Redaelli, Alex-Manuel Muresan

The present relates to a device being used in modular building construction comprising at least one flat load support comprising a first main face and a second main face, at least one elongated load support designed for being coupled with said flat load su ...

2021

Fabrication of micrometer-sized drops as templates for particles

Mathias Steinacher

Drops are omnipresent in our daily life for example in the form of rain drops or as oil drops in a salad dressing. On a technological basis, drops can be used to conduct chemical or biological reactions. These drops often serve as templates to produce mate ...

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

Designing Singlet Fission Candidates from Donor-Acceptor Copolymers

Anne-Clémence Corminboeuf, Sergio Vela Llausi, Maria Fumanal Quintana, Jacob Terence Blaskovits

Singlet fission (SF) has demonstrated significant promise for boosting the power conversion efficiency (PCE) of solar cells. Traditionally, SF is targeted as an intermolecular process; however, its dependence on crystal packing makes molecular design diffi ...

AMER CHEMICAL SOC2020

SARS-CoV-2 Inhibition by Sulfonated Compounds

Francesco Stellacci, Valeria Cagno, Matteo Gasbarri

Severe acute respiratory syndrome-related coronavirus 2 (SARS-CoV-2) depends on angiotensin converting enzyme 2 (ACE2) for cellular entry, but it might also rely on attachment receptors such as heparan sulfates. Several groups have recently demonstrated an ...

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

Entropy in Spin Relaxation, Spintronics, and Magnetic Resonance

Ferenc Simon

The entropy change during spin relaxation for a realistic model system is studied, whose spin dynamics can be handled with the Boltzmann equation. The time evolution of the von Neumann entropy is monitored during the process and is compared with the recent ...

WILEY-V C H VERLAG GMBH2020

Thermal and pH Sensitive Composite Membrane for On-Demand Drug Delivery by Applying an Alternating Magnetic Field

Jürgen Brugger, Giovanni Boero, Xiao Sheng Zhang, Ya Wang

Implantable drug delivery systems that can realize a scheduled drug release according to the needs of patients would be highly beneficial for the treatment of chronic diseases and cancer. Here, micrometer‐sized hydrogel particles with both thermal and pH s ...

2020

A time-reversible integrator for the time-dependent Schrödinger equation on an adaptive grid

Jiri Vanicek, Seonghoon Choi

One of the most accurate methods for solving the time-dependent Schrödinger equation uses a combination of the dynamic Fourier method with the split-operator algorithm on a tensor-product grid. To reduce the number of required grid points, we let the grid ...

2019

Thermal Engineering of Metal-Organic Frameworks for Adsorption Applications: A Molecular Simulation Perspective

Venkat Kapil

Thermal engineering of metal-organic frameworks for adsorption-based applications is very topical in view of their industrial potential, in particular, since heat management and thermal stability have been identified as important obstacles. Hence, a fundam ...

AMER CHEMICAL SOC2019