Numerical modelling of calcination reaction mechanism for cement production

Calcination is a thermo-chemical process, widely used in the cement industry, where limestone is converted by thermal decomposition into lime CaO and carbon dioxide CO₂. The focus of this paper is on the implementation and validation of the endothermic calcination reaction mechanism of limestone in a commercial finite volume based CFD code. This code is used to simulate the turbulent flow field, the temperature field, concentrations of the reactants and products, as well as the interaction of particles with the gas phase, by solving the mathematical equations, which govern these processes. For calcination, the effects of temperature, decomposition pressure, diffusion and pore efficiency were taken into account. A simple three-dimensional geometry of a pipe reactor was used for numerical simulations. To verify the accuracy of the modelling approach, the numerical predictions were compared with experimental data, yielding satisfying results and proper trends of physical parameters influencing the process.     

Efficient Engineering and Production Concepts for Products in Regulated Environments – Dream or Nightmare?

Manufacturing of chemical‐pharmaceutical products is moving increasingly fast on a global scale. Therefore, developing and starting up production facilities fast, with high quality, and at reasonable costs has become extremely challenging. Engineering concepts like modularization, standardization and simultaneous/parallel engineering are discussed as methods for speeding up process design and filing for regulatory approval. Transfer from batch to continuous operation mode of production is pointed out as the key‐issue in such strategies.     

Contribution of the Internal and External Oxygen to the Oxidation of Microencapsulated Fish Oil

Microencapsulation aims to protect polyunsaturated fatty acids against oxidation by embedding oil droplets in a solid matrix. In such a system the internal (dissolved and entrapped) and external (in the environment) oxygen can be differentiated. The study aims to quantify the impact of both oxygen sources on the oxidation of microencapsulated fish oil. The impact of the solubilized oxygen in bulk fish oil is investigated by saturating the oil with nitrogen, synthetic air, and pure oxygen. Even though more dissolved oxygen results in more oxidation products, the difference between the oxidation of the nitrogen and air saturated oil is significant but low. For encapsulated fish oil powders, the internal oxygen is modified by preparing oil‐in‐water emulsions under atmospheric and inert conditions. The feed is atomized and spray dried with either nitrogen or air. Powders are stored under vacuum and in vials and the hydroperoxides and anisidine value are determined in the total‐ and encapsulated oil. The internal oxygen has a minor impact, whereas the external oxygen is the main determinant for autoxidation. Apart from oxidizing the non‐encapsulated oil, the external O₂ penetrates into the particle and reacts with the encapsulated oil. Practical Applications: Comparing the contribution of the internal and external oxygen to the oxidative stability shows that the internal O₂ plays a minor role and can be neglected. This means that the emulsion preparation as well as the spray drying process can be conducted under ambient conditions. An inert production is not extending the shelf life significantly as long as the external O₂ determines oxidation. The focus should be on optimizing the diffusion barrier properties of the wall matrix to reduce the penetration of the external oxygen into the particle system. Alternatively, packaging solution reducing the external O₂ will extend the shelf life of the microencapsulated oil.     

Mineral Oil Hydrocarbons (MOSH/MOAH) in Edible Oils and Possible Minimization by Deodorization Through the Example of Cocoa Butter

Mineral oil hydrocarbons (MOH) are present in many fats and oils as well as foods prepared thereof. A survey of mineral oil saturated hydrocarbons (MOSH) and mineral oil aromatic hydrocarbons (MOAH) in different types of vegetable fats and oils is reported. Contents of MOSH/MOAH were quantified using liquid chromatography online‐coupled to gas chromatography with flame‐ionization detection (LC‐GC‐FID). Cocoa butter (n = 142) showed levels from <LOQ (2.5 mg kg^?1) to 162 mg kg^?1 ΣMOSH (sum of C10–C50) and <LOQ to 55 mg kg^?1 ΣMOAH, in palm oil (n = 21) ΣMOSH were quantified from <LOQ to 124 mg kg^?1 and ΣMOAH from <LOQ to 39 mg kg^?1. Sunflower oil showed lower levels: ΣMOSH were determined in the range of <LOQ to 17 mg kg^?1 and MOAH were not observed at all. A possible influence of deodorization and a subsequent minimization of MOSH/MOAH was investigated. Systematic model‐experiments were performed on laboratory scale using spiked cocoa butter. Significant minimization of volatile MOH subfractions ≤C24 were observed at a deodorization temperature of 210 °C. Deodorization can be considered as an important processing step to reduce or even remove volatile MOSH/MOAH ≤C24. Practical Applications: Regardless of their possible entry routes into the food chain, volatile fractions of MOSH/MOAH can be removed by deodorizing vegetable fats and oils. This model‐study identifies the temperatures of deodorization that provide a significant improvement toward minimization of undesired MOSH/MOAH.     

Multi-scale mechanistic modelling of the host defence in invasive aspergillosis reveals leucocyte activation and iron acquisition as drivers of infection outcome

Aspergillus species are ubiquitous environmental moulds, with spores inhaled daily by most humans. Immunocompromised hosts can develop an invasive infection resulting in high mortality. There is, therefore, a pressing need for host-centric therapeutics for this infection. To address it, we created a multi-scale computational model of the infection, focused on its interaction with the innate immune system and iron, a critical nutrient for the pathogen. The model, parameterized using published data, was found to recapitulate a wide range of biological features and was experimentally validated in vivo. Conidial swelling was identified as critical in fungal strains with high growth, whereas the siderophore secretion rate seems to be an essential prerequisite for the establishment of the infection in low-growth strains. In immunocompetent hosts, high growth, high swelling probability and impaired leucocyte activation lead to a high conidial germination rate. Similarly, in neutropenic hosts, high fungal growth was achieved through synergy between high growth rate, high swelling probability, slow leucocyte activation and high siderophore secretion. In summary, the model reveals a small set of parameters related to fungal growth, iron acquisition and leucocyte activation as critical determinants of the fate of the infection.