Publications associées à Virtual Sector Profiles for Innovation Sharing in Process Industry – Sector 01: Chemicals

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

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

Lignin Hydrogenolysis: Phenolic Monomers from Lignin and Associated Phenolates across Plant Clades

Jeremy Luterbacher, Yuan Li

The chemical complexity of lignin remains a major challengeforlignin valorization into commodity and fine chemicals. A knowledgeof the lignin features that favor its valorization and which plantsproduce such lignins can be used in plant selection or to eng ...

AMER CHEMICAL SOC2023

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

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

Hydro-processing of biomass using novel metal-organic framework (MOF)/polymer composite catalysts

Vikram Vinayak Karve

Generating value, in the form of functional chemicals, from biomass is a critical need of today. It is expected that replacing petroleum with biomass as the source of many commodity and fine chemicals can lead the transition away from a fossil-fuel based e ...

EPFL2022

New and improved methods for integrated models of metabolism and gene expression

Pierre Guy Rémy Salvy

The beginning of the 21st century was marked by the advent of disruptive technologies, which ushered an era of groundbreaking advances in fundamental sciences, carried by the great pace at which computational capabilities spread and evolved. But the new ce ...

EPFL2021

Data-Driven Advancement of Homogeneous Nickel Catalyst Activity for Aryl Ether Cleavage

Anne-Clémence Corminboeuf, Matthew Wodrich, Manuel Cordova, Benjamin André René Meyer, Boodsarin Sawatlon

The increasing urgency to make chemical processes more environmentally friendly while continuing to derive the chemicals required for modern society from renewable resources requires the development of a forthcoming generation of synthetic processes and th ...

AMER CHEMICAL SOC2020

Acceptorless dehydrogenation and hydrogenation of N- and O-containing compounds on Pd3Au1(111) facets

Paul Joseph Dyson, Zhaofu Fei, Antoine Philippe Van Muyden, Tao Wang, Zhangjun Huang, Xinjiang Cui

Catalytic dehydrogenation and hydrogenation of amines and alcohols are important in the synthesis of fine chemicals. Despite several efficient homogeneous catalysts having been identified, highly active heterogeneous catalysts remain elusive, although they ...

2020

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

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

A fish intestinal barrier model to assess the interaction with chemicals in vitro

Hannah Inka Schug

The intestinal epithelium acts as vital gate keeper between the fish and its surrounding environment. A single layer of connected epithelial cells forms a selective barrier, which, among other essential functions, is important for nutrient uptake and defen ...

EPFL2019

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

Intestinal Fish Cell Barrier Model to Assess Transfer of Organic Chemicals in Vitro: An Experimental and Computational Study

Kristin Schirmer, Hannah Inka Schug, Anze Zupanic, Jenny Maner

We studied the role of the fish intestine as a barrier for organic chemicals using the epithelial barrier model built on the rainbow trout (Oncorhynchus mykiss) intestinal cell line, RTgutGC and the newly developed exposure chamber, TransFEr, specifically ...

AMER CHEMICAL SOC2019

Photoredox-Catalyzed Decarboxylation for the Transfer of Alkynes and Nitriles Using Hypervalent Iodine Reagents

Franck Le Vaillant

Aliphatic alkynes and nitriles are privileged motifs in organic chemistry. Therefore, alkynes and nitriles have played a central role for the exploration and development of novel strategies to forge C-C bonds in efficient manner. They are broadly used as v ...

EPFL2019

Bioconversion of pentose sugars to value added chemicals and fuels: Recent trends, challenges and possibilities

Edgard Gnansounou, Vinod Kumar

Most of the crop plants contain about 30% of hemicelluloses comprising D-xylose and D-arabinose. One of the major limitation for the use of pentose sugars is that high purity grade D-xylose and D-arabinose are yet to be produced as commodity chemicals. Res ...

Elsevier2018

Risk assessment in a chemical plant with a CPN-HAZOP Tool

Damiano Nunzio Arena

In a previous research, a tool integrating the HAZOP analysis method and Coloured Petri Net formalism to support the analysis carried out by specialists during a HAZOP brainstorming session has been provided. In that work, the tool was used to simulate the ...

ELSEVIER SCIENCE BV2018

Catalytic amino acid production from biomass-derived intermediates

Paul Joseph Dyson, Ning Yan, Yu Han, Yefeng Wang, Shunlin Zhang

Amino acids are the building blocks for protein biosynthesis and find use in myriad industrial applications including in food for humans, in animal feed, and as precursors for bio-based plastics, among others. However, the development of efficient chemical ...

National Academy of Sciences2018

Direct amidation of esters with nitroarenes

Xile Hu, Chi Wai Cheung, Marten Leendert Ploeger

Esters are one of the most common functional groups in natural and synthetic products, and the one-step conversion of the ester group into other functional groups is an attractive strategy in organic synthesis. Direct amidation of esters is particularly ap ...

Nature Publishing Group2017

On the functional group composition of organic aerosol

Giulia Ruggeri

Atmospheric aerosol is ubiquitous and its impact on climate and health has not been fully understood yet. Multiple diverse processes and sources lead to atmospheric aerosol formation and emission and this reflects on its heterogeneity in chemical compositi ...

EPFL2017

Phytoremediation of soils contaminated by organic compounds: hype, hope and facts

Jean-Paul Schwitzguebel

The present opinion paper is focused on the phytoremediation of organic pollutants and is based on the lectures given by the author during the International Congress of Phytoremediation of Polluted Soils, held at Vigo, Spain, 29-30 July 2014. The aim of th ...

Springer Verlag2017