Jeroen Poissonnier

Ghent University | UGhent · Department of Chemical Engineering and Applied Chemistry

A generalized approach to model heat transfer in an industrial-scale wall-cooled packed bed reactor with a low tube-to-particle diameter ratio (< 8) is proposed and assessed in this work. The modeling approach rests on the realization of experiments carried out in absence of reaction in bench-scale as well as in industrial-scale packed beds. The ap...

A top-down kinetic modeling methodology is proposed using the in-house developed software tool ‘KASTER’. As a case study, it is applied in the assessment of methane steam reforming (MSR) kinetics on a Ni catalyst, including water-gas shift (WGS) as a side-reaction. The complexity of the reaction mechanism is gradually enhanced, leading ultimately,...

Resource efficiency analysis is an important tool in the chemical sector to evaluate the performance of new process concepts. However, such analysis does not account for the renewability and circularity of resources. Therefore, a resource efficiency and use analysis, including those two aspects, is proposed in this paper. A renewability indicator a...

Currently, propanol production highly depends on conventional fossil resources. Therefore, an alternative production process, denoted as “C123”, is proposed and evaluated in which underutilized and methane-rich feedstocks such as biogas (scenario BG), marginal gas (scenario MG), and associated gas (scenario AG) are converted into propanol. A first...

2,3-butanediol (2,3-BDO) dehydration towards 1,3–butadiene was investigated over commercial and in-house synthesized ZrO2 catalysts in a Berty reactor at intrinsic kinetics conditions. The commercial and ZrO2 catalysts prepared via precipitation (ZrO2-PP) exhibited a higher selectivity towards the undesired methyl ethyl ketone which was attributed...

This work reports the results of a perspective workshop held in summer 2021 discussing the current status and future needs for multiscale modeling in reaction engineering. This research topic is one of the most challenging and likewise most interdisciplinary in the chemical engineering community, today. Although it is progressing fast in terms of m...

Predicting the impact of input process variables on chemical processes is key to assess their performance of the latter. Models explaining this impact through a mechanistic approach are rarely readily available, complex in nature and/or require long development time. With increased automation in industries and the availability of high-throughput ex...

Ethane oxidative dehydrogenation (ODH-C2) is a promising alternative for producing ethylene. Even if SnO2-NiO catalysts are characterized by their long-term stability and high selectivity to ethylene, their kinetic performance has not been investigated in detail yet. In this work, three kinetic models were developed according to redox mechanisms, w...

A generalized approach to model heat transfer in an industrial-scale wall-cooled packed bed reactor with a low tube-to-particle diameter ratio (<8) is proposed and assessed in this work. The modeling approach rests on the realization of experiments carried out in absence of reaction in bench-scale as well as in industrial-scale packed beds. The app...

Machine-Learning (ML) methods, such as Artificial Neural Networks (ANN) bring the data-driven design of chemical reactions within reach. Simultaneously with the verification of the absence of any bias in the...

The unavoidable and significant impact of compounds with different oxygen functionalities and carbon number on each other in hydrodeoxygenation (HDO) has been experimentally assessed over NiMo and CoMo catalysts in a wide temperature range from 100 °C to 350 °C, at a total pressure of 6 MPa, a feed to catalyst ratio of 1.22 goxygenate gcat−1h−1 and...

A Single-Event MicroKinetic (SEMK) model has been extended towards the simulation of Steady State Isotopic Transient Kinetic Analysis (SSITKA) data for Co catalyzed Fischer-Tropsch Synthesis (FTS). The extended model considers two types of sites and both direct and H-assisted CO dissociation. Regression of the model parameters to the data obtained...

Commercial scale jet-loop and trickle bed reactor simulations have been performed for the reductive aminolysis of glucose with dimethylamine (DMA) in combination with an experimental assessment in a (large) lab-scale fed-batch and trickle bed reactor. Based on the intrinsic kinetics of the sequence of homogeneous and heterogeneously catalyzed react...

The development of microkinetic models allows gaining an understanding of fundamental catalyst surface phenomena in terms of elementary reaction steps without a priori defining a rate-determining step, yielding more meaningful and physically reliable reaction rates. This work aimed at developing such a microkinetic model that accurately describes t...

There are large reserves of stranded natural gas waiting for a viable solution and smaller scale biogas opportunities offering methane feedstocks rich in CO2, for which utilization can become an innovation advantage. C123 will evaluate how to best valorise these unexploited methane resources by an efficient and selective transformation into easy- t...

A catalytic reductive aminolysis of reducing monosaccharides into short ethylene diamines (or C2 diamines) was recently communicated by our group (Pelckmans et al, Angew. Chem. Int. Ed., 2017, 56, 14540–14544). Here, a general mechanism for this novel reaction is proposed based on the results of a combined experimental and theoretical study. The me...

The reductive aminolysis of glucose with dimethylamine (DMA) as aminating agent has been investigated experimentally as well as via kinetic model construction. A fed-batch reactor configuration was used at following conditions: temperatures ranging between 383 K–398 K, total pressures from 6.0 MPa to 7.5 MPa, an overall catalyst to glucose ratio of...

The relative contributions of heterogeneously catalyzed and homogeneous bulk phase reactions in bimodal reaction sequences have been assessed via 1D reactor simulations. Starting from a reaction network only comprising 2 parallel, irreversible heterogeneously catalyzed and homogeneous bulk phase steps, complementary consecutive steps were included...