Chemical reaction engineering

Related publications (27)

Flowing Gas Experiments Reveal Mechanistic Details of Interfacial Reactions on a Molecular Level at Knudsen Flow Conditions

Knudsen flow experiments and its interpretation in terms of adsorption/desorption kinetics as well as quantitative uptake on substrates of interest is presented together with the description of critical design parameters of the Knudsen Flow Reactor (KFR). ...

2022

Revisiting the Impact of Morphology and Oxidation State of Cu on CO2 Reduction Using Electrochemical Flow Cell

Michael Graetzel, Shaik Mohammed Zakeeruddin, Dan Ren, Jing Gao

Electroreduction of carbon dioxide (CO2) in a flow electrolyzer represents a promising carbon-neutral technology with efficient production of valuable chemicals. In this work, the catalytic performance of polycrystalline copper (Cu), Cu2O-derived copper (O ...

AMER CHEMICAL SOC2022

Cross verified independent measurements of correlated bubble property distributions as part of the scale-up of a catalytic bubbling fluidized bed reactor

Philipp Fedor Riechmann

Methanation can be applied as part of a Power-to-Gas (PtG) concept to store renewable electricity. Using a catalytic bubbling fluidized bed (BFB) methanation reactor allows a flexible and economic operation. Properties of bubbles rising through the fluidiz ...

EPFL2022

Tandem effect of Ag@C@Cu catalysts enhances ethanol selectivity for electrochemical CO2 reduction in flow reactors

Andreas Züttel, Wen Luo, Liping Zhong, Mo Li, Thi Ha My Pham, Jie Zhang, Youngdon Ko, Cedric David Koolen

CO-selective metals (e.g., Ag) on Cu catalysts improve the selec-tivity of multi-carbon (C2+) products in electrochemical CO2 reduc-tion. However, the origin of the improvement remains unclear due to the convolution of tandem and interface effects. Here, A ...

ELSEVIER2022

Crossover of liquid products from electrochemical CO2 reduction through gas diffusion electrode and anion exchange membrane

Andreas Züttel, Wen Luo, Jie Zhang

We reveal that a significant amount (>30%) of the liquid products from electrochemical CO2 reduction (CO2RR) in a flow reactor can cross the gas diffusion electrode (GDE) and anion exchange membrane (AEM). Crossover of volatile products through the GDE occ ...

ACADEMIC PRESS INC ELSEVIER SCIENCE2020

Electrochemical reconstruction of ZnO for selective reduction of CO2 to CO

Andreas Züttel, Wen Luo, Kun Zhao, Emanuele Moioli

Electrocatalytic conversion of CO2 to valuable chemicals is a highly promising route to close the carbon cycle. Herein, Zn catalysts derived from electrochemical reconstruction of ZnO materials are presented as efficient CO2-to-CO catalysts. We found that ...

2020

On isothermality in some commonly used plug flow reactors for X-ray based investigations of catalysts

Dragos-Constantin Stoian

We compare two reactor setups commonly used to make operando measurements of catalyst behavior using X-rays in terms of the degree to which they may be considered to yield radial and axial isothermality. We use axial and radial Cu K-edge XANES mapping of c ...

2019

Mechanical energy budget and mixing efficiency for a radiatively heated ice-covered waterbody

Damien Bouffard, Hugo Nicolás Ulloa Sánchez

Ice-covered waterbodies are far from being quiescent systems. In this paper, we investigate ice-covered freshwater basins heated by solar radiation that penetrates across waters with temperatures below or near the temperature of maximum density. In this sc ...

Cambridge University Press2018

Modifier adaptation with guaranteed feasibility in the presence of gradient uncertainty

Dominique Bonvin

In the context of real-time optimization, modifier-adaptation schemes use estimates of the plant gradients to achieve plant optimality despite plant-model mismatch. Plant feasibility is guaranteed upon convergence, but not at the successive operating point ...

Pergamon-Elsevier Science Ltd2017

Data Reconciliation for Reaction Systems Using Extents and Shape Constraints

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Concentrations measured during the course of reactions are typically corrupted by random noise. Data reconciliation techniques improve the accuracy of measurements by using redundancies in the material and energy balances expressed as relationships between ...

Elsevier2017

Chemoselective three-phase hydrogenation of an Ombrabulin nitro-stilbene intermediate in a continuous-flow mobile platform

Lioubov Kiwi, Charline Berguerand

The chemoselective three-phase hydrogenation of an Ombrabulinintermediate based on a nitro-stilbene framework was used as a case study for the formation of the primary amine without affecting the double bond. Two catalysts were tested: Pt nanoparticles sup ...

Elsevier Science Sa2017

Fast Estimation of Plant Steady State, with Application to Static RTO

Dominique Bonvin, Julien Léo Billeter, Michael Amrhein, Diogo Filipe Mateus Rodrigues

Experimental assessment or prediction of plant steady state is important for many applications in the area of modeling and operation of continuous processes. For example, the iterative implementation of static real-time optimization requires reaching stead ...

2016

On the Use of Transient Information for Static Real-Time Optimization

Dominique Bonvin, Grégory François, Alejandro Gabriel Marchetti

Optimal operation of chemical processes is key for meeting productivity, quality, safety and environmental objectives. Both model-based and data-driven schemes are used to compute optimal operating conditions [1]: - The model-based techniques are intu ...

2015

Use of Transient Measurements for the Optimization of Steady-State Performance via Modifier Adaptation

Dominique Bonvin, Grégory François

Real-time optimization (RTO) methods use measurements to offset the effect of uncertainty and drive the plant to optimality. RTO schemes differ in the way measurements are incorporated in the optimization framework. Explicit RTO schemes solve a static opti ...

American Chemical Society2014

Invariant Relationships for Heterogeneous Chemical Reaction Systems in Open Reactors

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan

Many chemical and biochemical industries utilize chemical reaction processes to get desired products from raw materials. Common examples include reaction systems used to manufacture pharmaceutical drugs, vaccines and other chemicals. A chemical reaction sy ...

2014

On the Use of Second-Order Modifiers for Real-Time Optimization

Dominique Bonvin, Timm Faulwasser

We consider the real-time optimization of static plants and propose a generalized version of the modifier-adaptation strategy that relies on second-order adaptation of the cost and constraint functions. We show that second-order adaptation allows checking ...

2014

FH HES Optimization of Chemical Reactor Feed by Simulations Based on a Kinetic Approach

Thierry Meyer, Charles Ibrahim Guinand

Chemical incidents are typically caused by loss of control, resulting in runaway reactions or process deviations in different stages of the production. In the case of fed-batch reactors, the problem generally encountered is the accumulation of heat. This i ...

Schweizerische Chemische Gesellschaft2014

Intensification of slow reversible chemical transformation: carboxylation of resorcinol as a case study

Lioubov Kiwi, Charline Berguerand, Anne-Laure Dessimoz

Conjugated kinetic and thermodynamic modeling is suggested as a suitable approach to identify a novel process window (NPW) for the intensification of slow reversible reactions. The aqueous Kolbe-Schmitt synthesis of beta-resorcylic acid is taken as a model ...

De Gruyter2013

Heat Management for Process Intensification of Fast Exothermic Reactions in Microstructured Reactors

Julien Haber

Nowadays, the production in fine chemical and pharmaceutical industry is mostly carried out in large scale batch reactors having typically dimensions of a few meters to satisfy the demand of the market. Even though this technology has been widely used and ...

EPFL2013

Kinematics of age mixing in advection-dispersion models

Andrea Rinaldo, Paolo Benettin

This paper investigates age mixing processes arising in advection-dispersion models, where large-scale travel and residence time distributions can be explicitly calculated based on the underlying velocity field. In particular, we analyze spatially integrat ...

American Geophysical Union2013

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