Microwave irradiation can intensify catalytic chemistry by selective and controlled microwave-catalytic packed-bed interaction. However, turning it to reality from laboratory to practical applications is hindered by challenges in the reactor design and scale-up. Here, we present a novel, rectangular traveling-wave microwave reactor (RTMR) and provide an easy-to-handle, 3-step design procedure of such reactor. The multiphysics model couples the electromagnetic field, heat transfer, and fluid dynamics in order to optimize the geometrical parameters and operational conditions for the microwave-assisted heterogeneous catalysis. The results show that the microwave energy input/output ports should be well-positioned and matched; otherwise, it would significantly decrease energy efficiency. In terms of microwave transmission, the RTMR presents a mix between the standing wave and the traveling-wave systems. Gas space velocity and input temperature significantly affect the temperature profile, and gas–solid temperature can present no significant difference under certain gas–solid contact.

We investigate forced convective heat transfer in packings of spheres, cylinders and Raschig rings, made of glass, steel and alumina, in relatively narrow tubes. A detailed comparison is made between resolved pellet-scale, azimuthally-averaged temperature profiles, and 2D-axially-dispersed pseudo-homogenous plug flow (2D-ADPF) predictions. The local temperature deviates significantly from azimuthally-averaged profiles, which in turn deviate from 2D-ADPF predictions. We show that the length dependency of effective heat transfer parameters is caused by thermal (non-)equilibrium between fluid and solid phases along the bed and not related to inadequate insulation of the calming section or the thermocouple's cross or an under-developed velocity and thermal field at the bed inlet. The influence of pellet shape and thermal conductivity and tube-to-pellet diameter ratio on k_er and h_w are assessed. We conclude that the models of Specchia/Baldi/Gianetto/Sicardi for all flow regimes and of Martin/Nilles for the turbulent regime are recommended for practical use for spherical particles.

This paper investigates the validity of azimuthal averaging of 3D temperature fields in the analysis of lateral heat transfer in dense particle packings. This is conducted by synthetic generation of 3D packing surrogates of spheres, cylinders and Raschig rings with tube-to-pellet diameter ratio, 3 < N < 6, using an in-house Rigid Body Dynamics packing algorithm, followed by detailed discrete pellet CFD simulations of heat transfer from wall to bed for laminar, transient and turbulent flow regimes. The CFD results of hydrodynamics and temperature fields are benchmarked against empirical correlations for pressure drop and interphase heat transfer Nusselt number, Nu, offering the best fits with correlations proposed by Eisfeld and Schnitzlein (for cylinders and spheres) and Nemec and Levec (for rings) for pressure drop, and by Gunn and Sun and coworkers for the prediction of Nu. The CFD results demonstrate that fluctuations in local temperature are completely neglected by azimuthal-averaging of 3D temperature fields over the bed volume, leading to more than 150 °C deviations from the local temperature data. Furthermore, it is found that deviations between azimuthally-averaged axial velocity profile and true local velocities are in an analogous fashion transmitted to the temperature field. This is evidenced by the coincidence of the peaks in the deviation profiles of azimuthally-averaged temperature and velocity from the local data over the bed radius. This is due to thermal disequilibrium between fluid and pellet phases which is partially omitted by the azimuthal-averaging of the 3D temperature field and basically neglected in pseudo-homogenous k_er-h_w models.

Microwave heating presents a potentially green alternative for energy supply to chemical and catalytic reactors as it can be based on the electricity from renewable sources. The Reverse Traveling Microwave Reactor (RTMR) is a novel heterogeneous catalytic reactor concept, based on the coaxial waveguide structure. The reactor has two microwave ports on both ends, and microwave irradiation is periodically switched between those ports to minimize the temperature gradients along the catalyst bed. In the current paper, COMSOL MULTIPHYSICS® simulation environment has been used to develop a 3D multiphysics model of the RTMR. Based on the model, operational characteristics of the reactor including electric field distribution and transient temperature profiles have been studied. Simulation results show that periodically reversed microwave irradiation improves the homogeneity of the temperature distribution inside the catalyst bed. The study provides new insights into the design and scale-up of microwave-assisted catalytic flow processes.

In 2015 all the United Nations (UN) member states adopted 17 sustainable development goals (UN-SDG) as part of the 2030 Agenda, which is a 15-year plan to meet ambitious targets to eradicate poverty, protect the environment, and improve the quality of life around the world. Although the global community has progressed, the pace of implementation must accelerate to reach the UN-SDG time-line. For this to happen, professionals, institutions, companies, governments and the general public must become cognizant of the challenges that our world faces and the potential technological solutions at hand, including those provided by chemical engineering. Process intensification (PI) is a recent engineering approach with demonstrated potential to significantly improve process efficiency and safety while reducing cost. It offers opportunities for attaining the UN-SDG goals in a cost-effective and timely manner. However, the pedagogical tools to educate undergraduate, graduate students, and professionals active in the field of PI lack clarity and focus. This paper sets out the state-of-the-art, main discussion points and guidelines for enhanced PI teaching, deliberated by experts in PI with either an academic or industrial background, as well as representatives from government and specialists in pedagogy gathered at the Lorentz Center (Leiden, The Netherlands) in June 2019 with the aim of uniting the efforts on education in PI and produce guidelines. In this Part 1, we discuss the societal and industrial needs for an educational strategy in the framework of PI. The terminology and background information on PI, related to educational implementation in industry and academia, are provided as a preamble to Part 2, which presents practical examples that will help educating on Process Intensification.

Microwave chemistry applications have been investigated for more than three decades. Contrary to common cavity-based microwave applicators, the traveling-wave microwave reactor has the potential to enable the process scale-up, a better coupling of microwave energy with microwave-susceptible catalysts, and consequently highly uniform microwave heating. In this work, the engineering challenges entailed with the design of a traveling-wave microwave waveguide are explained and appropriate solutions developed. A new traveling-wave microwave reactor with a coaxial waveguide structure is presented. Simulation results show that there is no standing wave generated along the structure. Furthermore, in order to keep the impedance matching and minimize the microwave reflections while the reactor is loaded with catalyst samples, new reactor's loading patterns are introduced. Simulation results showed that for the proposed method, microwave-susceptible catalytic fixed-bed could interact more efficiently with microwave energy and produce a uniform heating profile.

Achieving the United Nations sustainable development goals requires industry and society to develop tools and processes that work at all scales, enabling goods delivery, services, and technology to large conglomerates and remote regions. Process Intensification (PI) is a technological advance that promises to deliver means to reach these goals, but higher education has yet to totally embrace the program. Here, we present practical examples on how to better teach the principles of PI in the context of the Bloom’s taxonomy and summarise the current industrial use and the future demands for PI, as a continuation of the topics discussed in Part 1. In the appendices, we provide details on the existing PI courses around the world, as well as teaching activities that are showcased during these courses to aid students’ lifelong learning. The increasing number of successful commercial cases of PI highlight the importance of PI education for both students in academia and industrial staff.

The local flow structure and pressure drop in random packings of Raschig rings are analyzed using sequential Rigid Body Dynamics (RBD) method and Computational Fluid Dynamics (CFD) simulation. Tube-to-pellet diameter ratios, N, between 3 and 6 are investigated for laminar, transitional and turbulent flow regimes (5 ≤ Re_p ≤ 3,000). The computed pressure drops are in good agreement with the empirical correlation of Nemec and Levec (2005), while the Ergun equation exhibited high deviations of more than 60%, even when it is modified to explicitly account for non-sphericity of pellets. This deviation is ascribed to additional sources for eddy formation offered by Rashig rings, compared to spheres and cylinders, which cannot be counterbalanced by the usage of a higher specific surface area. The 3D results of flow structure demonstrate a large influence of packing topology on the velocity distribution: rings oriented parallel to the flow accelerate the local velocity through their axial holes, while rings oriented perpendicular to the flow provide additional space for vortex formation. The flow fields are substantially different from that found in packings of spheres and cylinders, both in terms of volume of backflow regions and velocity hotspots. This implies a higher order of local flow inhomogeneity in azimuthal and axial directions compared to spherical and cylindrical packings. Furthermore, it is found that azimuthal averaging of the 3D velocity field over the bed volume, which has been used to improve classical plug-flow pseudo-homogenous models to account for the role of tortuous velocity fields, cannot reflect the appearance of vortex regions and thereby leads to underestimation of the local axial velocity values by over 500% of the inlet velocity.

Despite the substantial simplicities inherent in pseudo-continuum models of fixed bed reactors, there is a continued interest in the use of such models for predicting fluid flow and transport scalars. In this paper, we aim to quantitatively address the inadequacy of 2D pseudo-continuum models for narrow-tube fixed beds. We show this by comparing with spatially resolved 3D results obtained by a robust and integrated numerical workflow, consisting of a sequential Rigid Body Dynamics and Computational Fluid Dynamics (RBD-CFD) approach. The RBD is founded on a physics-based hard-body packing algorithm, recently proposed by the authors (Moghaddam, E.M., Foumeny, E.A., Stankiewicz, A.I., Padding, J.T., 2018. A Rigid Body Dynamics Algorithm for Modelling Random Packing Structures of Non-Spherical and Non-Convex Pellets. Ind. Eng. Chem. Res. 57, 14988–15007), which offers a rigorous method to handle resting contacts between particles. The methodology is benchmarked for simulations of flow fields in all flow regimes, for 5 ≤ Re_p ≤ 3,000, in random packings of spheres and cylinders with tube-to-pellet diameter ratios, N, between 2.29 and 6.1. The CFD results reveal a remarkable influence of local structure on the velocity distribution at the pellet scale, particularly in low-N packings, where the spatial heterogeneity of the structure is very strong along the bed axis. It is also demonstrated that azimuthal averaging of the 3D velocity field over the bed volume, which has been considered as an advancement over plug flow idealization in classical pseudo-continuum models, cannot reflect the role of vortex regions emerging in the wake of the pellets, and leads to underestimation of the local velocity values by more than 400% of the inlet velocity.

Three-dimensional mathematical model was developed for a rectangular TE _10n microwave heating cavity system, working at 2.45 GHz. Energy/heat, momentum equations were solved together with Maxwell's electromagnetic field equations using COMSOL MULTIPHYSICS® simulation environment. The dielectric properties, ε' and ε'', of NaY zeolite (Si/Al = 2.5) were evaluated as a function of temperature. Considering these values, the microwave heating of a porous fixed-bed made of dry NaY zeolite was simulated. Electric field distribution, axial and radial temperature profiles and temperature evolution with time were obtained. The zeolite fixed bed was heated up to 180 °C in 5 min, with 30 W power. The fixed-bed temperature evolution under non-steady state conditions showed the same trend as the one observed experimentally with only an average deviation of 10.3%. The model was used to predict microwave heating of other materials improving energy efficiency of the microwave cavity. Furthermore, the developed model was able to predict thermal runaway for zeolites.

Plasma reactors have the potential to enable CO₂ utilization technologies and so there is need to investigate their performance from a chemical or process engineering perspective. Multiphysics models are excellent tools to carry out this analysis; however, practical engineering models of plasma reactors are limited. Herein a two-step modelling approach for plasma reactors is presented. In the first step, a 2D plasma reactor model with a simple chemistry is used to characterize the discharge. The result of this step is used in the second step to develop a global (volume averaged) model of the reactor with the actual chemistry. The approach is applied in the case of CO₂ dissociation in a non-thermal surface wave microwave plasma reactor. Preliminary calculations reveal the need to include the vibrationally enhanced dissociation of CO₂ in the chemistry of the model. Reduced vibrational kinetics are employed for this purpose by introducing the fictitious species . The model predictions are compared to experimental results to validate the model and obtain insight into the performance of the reactor. In comparison to the experimental results the conversions obtained with the model are underestimated between 11% and 25%. The dominant dissociation paths in the plasma reactor are also identified. Further calculations are performed to show the importance of an approximate description of the power deposition. Limitations of the approach are discussed as well, especially those with major contribution to the discrepancies between experimental and modelling results.

Non-thermal microwave plasma reactors can efficiently split the CO₂ molecule. However, big challenges remain before this technology can become a feasible industrial technology. Computer modelling can be very useful to tackle such challenges. Detailed kinetic modelling is commonly used to gain insights into the complex vibrational kinetics of CO₂, as vibrational excitation is strongly related to the energy efficiency in the dissociation process. The vibrational-to-translational temperature ratio has been identified as a key variable to achieve high energy efficiencies. This ratio has also been used to simplify detailed CO₂ vibrational kinetics, notably reducing the number of species and reactions required to model the non-thermal plasma. In this paper we use an isothermal reaction kinetics model to study the vibrational kinetics of CO₂ under the typical conditions used in non-thermal microwave plasma experiments. The importance of the different collisional processes is evaluated with respect to the different conditions and timescales at which CO₂ dissociation takes place. The long timescale behavior of the vibrational-to-translational temperature ratio under different conditions is discussed in detail. It is shown that the behavior at increasing gas temperatures can be fitted to an expression that incorporates the Landau-Teller temperature dependence. This is confirmed by the average adjusted R-square values higher than 0.99 and the average root mean square error values smaller than 0.22 at low gas temperatures. The limitations of the fitting expression are also discussed, especially the conditions and timescales at which it yields better results.

The paper discusses the currents status and future perspectives of the utilization of microwaves, as a selective and locally controlled heating method, in heterogeneous catalytic flow reactors. Various factors related to the microwave-catalyst interaction and the design of microwave-assisted catalytic reactor systems are analyzed. The analysis clearly shows the superiority of the traveling-wave systems over the mono-mode and multi-mode cavity-based systems when it comes to the design and application of microwave flow reactors at relevant production scales.