Title Promoter Affiliations Abstract "Study of membrane processes for process intensification in solid, liquid and gas phase." "Bart Van der Bruggen" "Process Engineering for Sustainable Systems Section" "In this project, a thorough study of the potential of membrane processes for intensification of separations related to solid, liquid and gas phases is carried out. The objective is to elaborate a broad vision for further research on the basis of mainly advanced separations in membrane contactors, with liquid phases as starting point but with a clear option to integrate solid phases and gas phases in the methodology. This requires a hybrid approach involving also other membrane separation processes and, where necessary, non-membrane processes such as crystallization. The application area is mainly in environmental technology, where wastewater treatment and flue gas treatment (e.g., reduction of CO2 emissions) are considered, and chemical technology, where the integration is mainly related to the development of membrane reactors." "Chemical Process Intensification by Multi-scale Computation & Modelling" "Yi Ouyang" "Department of Materials, Textiles and Chemical Engineering" "Process intensification (PI) plays an essential role in the new paradigm of chemical engineering, which is characterized by any technology that leads to a substantially smaller, cleaner, and more energy-efficient process with multiscale cognition. However, the development of process intensification technologies, such as reactor development, is a very challenging task because of the inherent complexity in momentum/heat/mass transfer, mixing, sourcing and/or storing of reactants, products, or catalysts, transport processing, etc. The use of multi-scale computation and modelling has led to breakthroughs in the design and optimization of chemical equipment and processes. With my research group I intend to build a research framework to effectively and efficiently develop process intensification technologies by coupling (1) lab-scale fundamental experiments, (2) computational fluid dynamics (CFD) simulations & optimization and (3) process simulations & assessment, allowing low-cost process innovation from reactor-scale, bench-scale to pilot-scale.My research program aims to establish the proposed framework as a generic solution for the intensification of existing chemical processes. More specifically, the multiscale framework will be demonstrated in the context of novel reactor designs such as vortex reactors and rotating packed bed reactors. Three targeted processes will be intensified using potential reactor types:Point-source CO2 absorption & desorption. With my research group, we will develop a new and better type of gas-liquid contactor. Particular attention will be given to maximizing the volumetric mass transfer coefficient and heat transfer efficiency, allowing substantial reduction in equipment size and energy consumption.Direct air capture. We will focus on high-throughput direct air capture in a vortex unit/modified unit supported by CFD and process simulations. The main goal is to allow cost reduction.Powder drying. We will demonstrate powder drying in the (modified) vortex unit for different Geldart type particles used in the pharmaceutical, food and chemical industries." "Visualization, Modelling and Computation Based Process Intensification of CO2 capture" "Kevin Van Geem" "Department of Materials, Textiles and Chemical Engineering" "This project focus on the understanding of gas-liquid mass transfer and the development of a gas-liquid vortex unit in the CO2 context. Fundamental experiments combined and numerical simulations can bring its design and efficiency to an unprecedented level. Therefore, advanced visualization technologies and novel numerical simulation methods will be used or developed to reveal and understand the mass transfer process between gas and liquid phases at different scales. X-ray computed tomography, high-speed camera and particle image velocimetry measurements will be employed to investigate the liquid holdup, droplet distribution and flow evolution, further contributing to the modelling of the mass transfer area. Computational fluid dynamics simulation of the gas-liquid flow coupled with overall/local mass transfer coefficient will be developed and validated based on the obtained data. This information will be used to build a CO2 capture and separation unit. To further intensify mass transfer in this unit, an optimization framework consisting of automated mesh generation, numerically solving the equations in combination with an optimization algorithm will be developed. This project will not only give a better understanding of gas-liquid mass transfer, but will also show a paradigm of process intensification based on fundamental experiments, visualization, modelling and computational fluid dynamics simulation." "Process Intensification Strategies for Energy-Efficient and Sustainable Separation Systems" "Xing Yang" "Process Engineering for Sustainable Systems (ProcESS)" "The proposed interdisciplinary research will develop sustainable separation systems for addressing challenges in water & wastewater treatment, resource recovery, zero liquid discharge and sensing applications. Two research programs are proposed to explore multi-scale process intensification strategies: 1) from micro- to milli-level, the roles of transport-limiting factors, materials chemistry and morphological structure associated with reaction or sorption kinetics are focused. In the next five years, an integrated microfluidic membrane-on-chip system will be developed for fine chemical purification and sensing; 2) On marco-level, studies on system design and hybridization will drive the recovery of valuable resources (e.g., water, energy, pharmaceuticals, and metals/minerals) from natural and waste streams. In the next five years, resource recovery from high strength leachate wastewater will be explored via an integrated fenton-oxidation and crystallization system." "Multi-scale process intensification and functionality control for reactive extrusion towards sustainable polymer synthesis and recycling." "Department of Materials, Textiles and Chemical Engineering" "Extruders are the working horse in the polymer processing industry to manufacture final polymeric materials. More recently the interest to employ them as chemical reactors has grown. Reactive extrusion (REX) is already successfully applied for bulk polymerization, and polymer modification such as radical grafting, crosslinking and controlled degradation. The main advantages are (i) the ability to cover highly viscous reaction media both for synthesis and depolymerization (chemical recycling), (ii) excellent mixing and heat transfer, and (iii) the possibility to directly obtain a final product by combining compounding and synthesis in one equipment. Here, the goal is to develop a generic fundamental multi-scale modeling tool that allows for process intensification and functionality control for REX on all length scales (molecular, micro, meso and macro). Currently, the study and design of REX processes is limited as focus is on one scale. The model will be gradually constructed and applied for four industrially relevant REX processes with different levels of complexity, including sustainability control. The starting point is a micro-scale modeling tool for radical grafting, which will be largely extended to a broader range of chemistries, including depolymerization, with fundamental meso-scale mass transfer phenomena, and a more detailed reactor model covering aspects of non-perfect mixing and screw design." "OPTIMA: PrOcess intensification and innovation in olefin ProducTion by Multiscale Analysis and design" "Kevin Van Geem" "Department of Materials, Textiles and Chemical Engineering" "New manufacturing techniques such as 3D printing have the potential to drastically transform the chemical industry. Novel, complex, integrated reactor designs can now be created, that will allow to unlock alternative chemical routes, such as for methane activation. Driven by process intensification and the power of high performance computing, this project will enhance heat and mass transfer in advanced chemical reactors by multiscale modelling and experimentation. OPTIMA aims to: (1) develop in silico novel 3D reactor technologies and concepts with significantly improved selectivity and heat transfer by the use of additive manufacturing; (2) generate new fundamental understanding of kinetics, heat transfer and mass transfer by using advanced measuring techniques for processes of both current and future importance; (3) demonstrate the practical applicability of an open-source multiscale large eddy simulation (LES) platform in combination with finite rate chemistry for turbulent reacting flows; (4) transform the chemical industry by valorising methane and converting it to a platform molecule through oxidative coupling of methane. OPTIMA will focus on two olefin production processes of industrial and social importance in Europe, the exothermal oxidative coupling of methane and the endothermic steam cracking, demonstrating the universality of the proposed new paradigm. Starting from fundamental experiments and kinetic modelling (WP1), detailed chemistry will be implemented in an open-source LES multiscale modelling framework (WP2) generating in silico novel 3D reactor technologies with significantly improved selectivity (WP3). The power of the approach will be ultimately demonstrated in a novel, 3D integrated reactor, in which the studied exothermic and endothermic processes are cleverly combined (WP4). OPTIMA will pave the way for designing the 3D reactors of tomorrow and promote the new techniques and tools that will be driving innovation in the next decades." "Novel mili-scale continuous flow reactors for process intensification." "Simon Kuhn" "Process Engineering for Sustainable Systems (ProcESS)" "The aim of this work is to understand interfacial transport processes in porous structures in more detail, and using this knowledge to design milli-scale multiphase flow reactors, in particular using metal foams. This is accomplished by a rational approach, identifying the physical mechanisms of interfacial mass transfer in porous media using non-invasive, laser-optical measurement echniques, and to use these experimental results to validate and develop predictive multiphase flow models for computational fluid dynamics (CFD). The obtained results will directly impact the efforts in process intensification and sustainable advanced manufacturing. " "Process intensification through reactive flow modulation (Pi-Flow)" "New manufacturing techniques such as three-dimensional (3D) printing have the potential to drastically transform the field of chemical engineering. Novel, complex reactor geometries can be created that were previously impossible or required dedicated facilities to make. Driven by process intensification and in combination with the power of supercomputers, the sky promises to be the limit for chemical reactor and reaction engineering. Therefore in this proposal research is focused on improving heat and mass transfer in reactors by avoiding unwanted flow patterns such as counterflow, backflow and jet flow. This should translate in longer reactor lifetimes, reduced fouling and higher selectivities for a range of different reactor designs by building on the knowledge of the applicantU+2019s group in reactive flow simulation. However, the models used in these simulations require extensive and modular validation with unprecedented attention to detail. Essential is information about local flow patterns (by 2D and 3D particle image velocimetry) and the local heat transfer (by using Liquid) that will be obtained together with the Von Karman Institute. This information will feed the developed first-principles based models for single-phase flow that solve the basic set of conservation equations (Navier-Stokes), properly describe turbulence, and last but not least account for the detailed free-radical reactions relevant for combustion and pyrolysis in vortex and swirl flow reactors." "Process intensification of industrial O3/UV-reactors: experimental approach and modeling." "Jan Degrève" "Bio- & Chemical Systems Technology, Reactor Engineering and Safety Section" "Eén van de grootste uitdagingen van de 21ste eeuw is het voorzien van drinkwater voor de steeds toenemende populatie op aarde. Een verregaande zuivering van (industrieel) afvalwater gekoppeld aan maximaal hergebruik is dan ook aangewezen. Deze verregaande zuivering kan in een tertiaire zuiveringsstap o.a. met behulp van geavanceerde oxidatietechnieken (AOPs) worden verkregen. De kostprijs van AOPs voor een volledigechemische oxidatie is over het algemeen echter tamelijk hoog. Een alternatief bestaat er dan ook in om deAOPs met partiële doseringen oxidans als voorbehandeling te gebruiken. Het beoogde doel hierbij is hetverhogen van de biodegradeerbaarheid om vervolgens verdere afbraak in de biologische zuivering te latenplaatsgrijpen.In dit doctoraatsproject wordt de nadruk gelegd op O3 en UV. Deze zijn uitermate geschikt voor integratie in een bestaande waterzuivering. Bovendien wordt in sommige gevallen een duidelijke synergie waargenomen bij gecombineerd gebruik van deze technieken.In een eerste fase worden de parameters, karakteristiek voor de reactiesnelheid en de massa-overdracht, experimenteel bepaald. Op basis hiervan kunnen de designvergelijkingen voor reactoren opgesteld worden. Omwille van de sterke koppeling tussen deze vergelijkingen worden deze numeriek via eindige elementen opgelost. Hiertoe worden de vergelijkingen geïmplementeerd in een commercieel Computational Fluid Dynamics softwarepakket.Vervolgens wordt in een tweede fase bestudeerd hoe de principes van procesintensificatie kunnen toegepastworden op een O3/UV-installatie. In het bijzonder zal het gebruik van een fotokatalysator geëvalueerd worden om de UV intensiteit beter te benutten. Daarnaast zal nagegaan worden of het gebruik van een magnetisch veld een invloed heeft op de levensduur van de gebruikte UV-lamp. Tenslotte zal ook het stromingsgedrag in de reactor en de positie van de UV-lampen op basis van de CFD-resultaten worden geoptimaliseerd.In het kader van deze doctoraatsstudie zal er met verschillende onderzoeksgroepen samengewerkt worden:- Afdeling Toegepaste Fysische Scheikunde en Milieutechnologie, Departement Chemische Ingenieurstechnieken, KU Leuven: Professor Tom Van Gerven- Centrum voor Oppervlaktechemie en Katalyse, Departement Microbiële en Moleculaire Systemen, KULeuven: Professor Johan Martens" "Process Intensification in the Reactive Crystallization of Micro- and Nanoparticles" "Tom Van Gerven" "Process Engineering for Sustainable Systems (ProcESS)" "Study of the ultrasound effects on the micro- and nanoparticle synthesis of zeolites at lab scale. For a broad range of temperatures (50-150 °C) and pressures (1-10 bar) US frequency and power are studied for: 1) efficient mixing prior/during crystallization of micro- and nanoparticles, and for 2) de-agglomeration of the crystal aggregates. Micromixing studies are undertaken, as well as the evaluation of meta-stable zone width, induction time and nucleation rate. Deagglomeration and breaking rates of particles are evaluated. Lab-scale batch, loop and flow-through systems are run with US irradiation (US equipment designed by WU, or other devices available for renting, e.g. sonotube from Synetude) at high temperature (> 50°C, preferably > 80 °C) and under pressure (until 10 bar) on real optimized reactive composition (US frequency and power per unit of volume, time/frequency of exposure). The effects of US irradiation on crystallisation are determined by the crystallinity (pore volume measurement by liquid N2 intrusion), purity (XRD) and particle size distribution (laser diffraction analysis, SEM) of the synthetized particles."