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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. (C) 2020 The Author(s). Published by Elsevier B.V. on behalf of Institution of Chemical Engineers. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).

Climate change, global warming, fossil fuel depletion and rising fuel prices have created great incentives to seek alternative fuel production technologies. CO transformation to value-added products using renewable H has proven to be an emerging solution to enable this goal. In this regard, three different promising processes, namely methane, methanol and hydrocarbon synthesis via CO hydrogenation are thoroughly discussed. In addition, the influential factors affecting process efficiencies such as catalyst design and mechanistic insight, operating conditions as well as reactor types are investigated, with key pathways that dictate catalyst activity and selectivity of the most promising materials described. Furthermore, a brief overview of the reactor configuration and its crucial role in the improving process viability is analyzed. Accordingly, fixed-bed, fluidized-bed, annular and spherical reactors along with HO/H perm-selective membrane reactors are disscussed for hydrocarbon production. In addition, different reactor configurations are compared to assess the best one that is adjustable depending on the reaction mechanism. Consequently, a corrugated-wall dual-type membrane reactor is proposed as an emerging alternative for CO hydrogenation to value-added products. This research has been supported by the NRDI Fund (TKP2020 NC, Grtant No. BME-NCS) based on the charter of bloster issued by the NRDI office under the auspices of the Ministry for Innovation and Technology. SLS acknowledges the support of the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical, Biological and Geological Sciences under grant DE-FG02-86ER13622.A000.

The influence of loading on the self-diffusion in an isolated single walled carbon nanotube is studied by molecular dynamics simulations. By simulating the carbon nanotube as a flexible framework we demonstrate that the flexibility has a crucial influence on self-diffusion at low loadings [1]. While simulating the nanotube as rigid a remarkable increase of the diffusion coefficient at low loadings is observed [2]. Molecular dynamics simulations of a fully flexible nanotube result in a far less pronounced increase, by a further reduction of the loading the diffusion becomes constant again. To incorporate the influence of the flexible walls in a simulation of a rigid nanotube, we have introduced a Lowe-Andersen thermostat which works on interface-fluid collisions [1]. The reproduction of the results of a flexible carbon nanotube by a rigid nanotube simulation is excellent. With this approach we simulate the loading dependent self-diffusion in carbon nanotubes. The influence of pore width and temperature on self-diffusion is studied. Furthermore, the influence of adsorption strength is investigated by comparing the self-diffusivities of different components. For small pores, in which the molecules cannot pass each other, single-file diffusion is observed under certain conditions.

Algorithmen zur Berechnung oberer und unterer Schranken für den Optimalwert, sowie Einschließungen ε-Optimallösungen in der semidefiniten Programmierung sind präsentiert. Die vorgeschlagenen Verifikationsverfahren wurden erfolgreich auf RDM Elektronenstrukturproblem angewendet um eine untere Grenze für die Grundzustandsenergie eines N-Elektron Systems zu ermitteln., Algorithms for computing lower and upper bounds of global optimal value, as well as enclosures of ε-optimal solutions in semidefinite programming are presented. Suggested verification methods are successfully applied to the electronic structure problem (RDM formulation) to calculate a lower bound of the ground state energy of an N-electron system.

In dieser Arbeit wurde die N2O-Zerlegung auf dem Fe-ZSM-5 Katalysator mittels quantenchemischer Dichtefunktionalmethoden untersucht. Mit theoretisch bestimmten Reaktionsmechanismen und -geschwindigkeiten konnten nahezu alle experimentellen Ergebnisse zur N2O-Zerlegung in Ab- und Anwesenheit von Stickoxid simuliert werden. Hoch effiziente Algorithmen zur Übergangszustandssuche wurden entwickelt., Using density functional theory, the nitrous oxide decomposition over iron zeolite catalysts was studied in the presence and absence of nitric oxide on a molecular level. A reaction network, including rate parameters calculated from first principles, was determined that explains virtually all experimental data. Highly efficient algorithms for finding transition states in chemical reactions have been developed.

In dieser Arbeit wird das Phänomen der Oberflächenbarrieren von Kohlenwasserstoffen, die in silikatreiche Zeolithe eindringen, untersucht. Mithilfe molekularer Simulationsmethoden (transiente und Gleichgewichtsmolekulardynamik, Monte Carlo, Reaktivflusssimulationen) und des Abgleichs mit experimentellen Daten aus der Literatur erfolgte eine Kategorisierung, unter welchen Bedingungen (systemisch, thermodynamisch und chemisch) die Barrieren signifikante Auswirkungen auf Diffusionsmessungen haben., In this work, the so-called surface-barriers phenomenon is investigated for hydrocarbons entering siliceous zeolites. Using molecular simulation methods (transient and equilibrium molecular dynamics, Monte Carlo, reactive flux simulations) and comparison to experimental data from literature, conditions (systemic, thermodynamic, and chemical) were identified under which such barriers have significant impact on diffusion measurements.