Publications related to Chemical process modeling

Decarbonizing the fertilizers sector: an alternative pathway for urea and nitric acid production

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

In order to alleviate the environmental impact that nitrogen fertilizers production is responsible for, several efforts have been addressed to incentivize the partial or total decarbonization of the supply chains of ammonia and its derivatives. The decarbo ...

2024

Plasmonic Nanostructures for Photocatalysis: Material, Photonic and Electronic Effects

Fateme Kiani Shahvandi

Plasmonic photochemistry has a large potential to replace energy-intensive chemical processes with low-temperature, low-pressure light-driven chemical reactions. Plasmonic nanostructures have emerged as promising photocatalysts with exceptional and tunable ...

EPFL2024

High-Throughput Sizing, Counting, and Elemental Analysis of Anisotropic Multimetallic Nanoparticles with Single-Particle Inductively Coupled Plasma Mass Spectrometry

Andreas Züttel, Natalia Gasilova, Cedric David Koolen, Wen Luo, Mo Li, Ayush Agarwal

Nanoparticles (NPs) have wide applications in physical and chemical processes, and their individual properties (e.g., shape, size, and composition) and ensemble properties (e.g., distribution and homogeneity) can significantly affect the performance. Howev ...

2022

A Methodology for Evaluating the Robustness of Anomaly Detectors to Adversarial Attacks in Industrial Scenarios

Javier Alejandro Maroto Morales

Anomaly Detection systems based on Machine and Deep learning are the most promising solutions to detect cyberattacks in the industry. However, these techniques are vulnerable to adversarial attacks that downgrade prediction performance. Several techniques ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2022

Electronic Population Transfer via Impulsive Stimulated X-Ray Raman Scattering with Attosecond Soft-X-Ray Pulses

Christoph Bostedt, Xiang Li, Andre Al Haddad, Solène Oberli, Siqi Li

Free-electron lasers provide a source of x-ray pulses short enough and intense enough to drive nonlinearities in molecular systems. Impulsive interactions driven by these x-ray pulses provide a way to create and probe valence electron motions with high tem ...

AMER PHYSICAL SOC2020

Applications of Artificial Intelligence to Computational Chemistry

Nicholas John Browning

The calculation of the electronic structure of chemical systems, necessitates computationally expensive approximations to the time-independent electronic Schrödinger equation in order to yield static properties in good agreement with experimental results. ...

EPFL2019

Sintering and coking resistant core–shell microporous silica–nickel nanoparticles for CO methanation: Towards advanced catalysts production

Christian Ludwig, Andrea Testino

Modern engineered materials have to be developed to address specific problems associated to chemical processes that directly affect our society. Catalysts are key materials used for large scale production of at least 90% of the everyday goods. Many energy ...

Elsevier2016

Integrating Rate Based Models into a Multi-Objective Process Design & Optimisation Framework using Surrogate Models

Levent Sinan Teske

In the development of energy and chemical processes, the process engineers extensively apply computer aided methods to design & optimise these processes and corresponding process units. Such applications are multi-scale modelling and multi-objective optimi ...

EPFL2014

Low-temperature Collisions between Neutral Molecules in Merged Molecular Beams

Andreas Osterwalder, Justinas Jankunas, Benjamin Bertsche

We have developed an experiment for the investigation of neutral molecular collisions in the gas phase at temperatures as low as 100 mK. These low temperatures are obtained by merging two supersonic expansions, using an electric and a magnetic guide, and b ...

Schweizerische Chemische Gesellschaft2014

Al2O3/W hetero-structured nanopore membranes: From native to tunable nanofluidic diodes

Jürgen Brugger, Philippe Renaud, Arnaud Bertsch, Songmei Wu, Fabien Patrick Wildhaber

We present here Al2O3/W hetero-structured nanopore membranes which function as native and electrical field tunable nanofluidic diodes. A typical membrane is 100×100 μm2 in size with pore density of ∼ 20/μm2. The nanopores are 26 nm in diameter and 400 nm i ...

IEEE2013