AI in Process Industries – Current Status and Future Prospects

The chemical industry is one of the key industrial sectors in Germany and at the same time one of the largest consumers of energy and raw materials. A successful energy transition and the development of a circular economy can only succeed if they are actively supported and shaped by the chemical industry – through the redesign of existing production processes and the exploration and implementation of new process routes. The challenge is to realize this transformation within a very short time and for many production processes, whereby a much larger number of process routes must be explored. Digital technologies are key to master this transformation towards more sustainability, climate, and environmental protection. The KEEN project aims to explore and leverage artificial intelligence (AI) opportunities in process industry. The newly developed AI methods are tested wherever possible in real working environments and production plants to prove the economic benefit, applicability, and reliability of the methods and technologies.     

Development of enhanced three-dimensional printed packings for scale-up of distillation columns: A successful case study

This publication presents a general approach for the enhancement of packings regarding scalability, separation efficiency, and fluid dynamic properties using three-dimensional (3D) printing. The methodology is used to develop miniaturized, scalable packings for process development, and scale-up applications. For this purpose, a 3D printable computer-aided design version of the Rombopak 9M industrial packing (RP9M-3D), which is known for its positive scalability properties, was created. An initial characterization by means of computational fluid dynamics simulations and mass transfer measurements reveals positive but also negative design properties. These findings are used to create a more advanced, miniaturized packing structure, the XW-Pak. The evolved structure is compared to the RP9M-3D. The simulation and experimental results show that the enhanced packing, which is still in the early stages of development, exhibits higher separation efficiencies with improved scalability properties at the same void fraction and surface area than the RP9M-3D.     

Phase equilibria of hydrates from ternary mixtures of methane + ethane + propane and methane + propane + carbon dioxide

Hydrate–liquid–vapour (HLV) equilibrium of aqueous clathrates formed from gas mixtures can be complex compared to hydrates formed with single guests. Typically, pressure and temperature are controlled to obtain these data, but for multicomponent systems, it is necessary to control/report more intensive variables, namely, composition. Metastability, manifested as impractically long experimental times, has been reported to be a challenge with some multicomponent systems. We present HLV equilibrium conditions of two ternary gas mixtures: methane + ethane + propane (90:7:3 molar ratio) and methane + propane + carbon dioxide (55:5:40 molar ratio). Conditions varied in the temperature range of 275–285 K and the pressure range of 1.24–4.75 MPa. Experimental standard uncertainties were on average 0.10 K and 0.005 MPa for methane + ethane + propane and 0.19 K and 0.005 MPa for methane + propane + carbon dioxide. Our technique allowed us to bypass the limitations reported in the literature and provided fast, reproducible HLV equilibria for gas-dominated systems.     

Partikelcharakterisierung in hochkonzentrierten Dispersionen – Grundlegende Untersuchungen zu einer neuen Ultraschallmethode

A new method for inline characterization of particles in high concentrated dispersions by ultrasonic backscattering is described, that is sensitive against particle size and concentration. Analyzing the backscattering signal yields the sound attenuation as well as a scattering intensity equivalent. The measurement can be performed without sampling and minimally invasive directly in the process.     

Abreicherung von Flüssiggas aus Erdgas mittels Zeolithmembranen

The depletion of higher alkanes from methane is a key aspect during the conditioning of natural gases or accompanying gases. Membrane technologies could be used as alternative to energy and cost intensive purifications. Against this background the influence of membrane geometry, composition of the gas mixture as well as temperature and pressure was investigated in separation experiments for methane/n‐butane mixtures using MFI membranes.     

Oxidative Folding of Peptides with Cystine‐Knot Architectures: Kinetic Studies and Optimization of Folding Conditions

Bioactive peptides often contain several disulfide bonds that provide the main contribution to conformational rigidity and structural, thermal, or biological stability. Among them, cystine‐knot peptides—commonly named “knottins”—make up a subclass with several thousand natural members. Hence, they are considered promising frameworks for peptide‐based pharmaceuticals. Although cystine‐knot peptides are available through chemical and recombinant synthetic routes, oxidative folding to afford the bioactive isomers still remains a crucial step. We therefore investigated the oxidative folding of ten protease‐inhibiting peptides from two knottin families, as well as that of an HIV entry inhibitor and of aprotinin, under two conventional sets of folding conditions and by a newly developed procedure. Kinetic studies identified folding conditions that resulted in correctly folded miniproteins with high rates of conversion even for highly hydrophobic and aggregation‐prone peptides in concentrated solutions.     

Dynamic modeling of CO2 absorption from coal-fired power plants into an aqueous monoethanolamine solution

Among carbon capture and storage (CCS), the post-combustion capture of carbon dioxide (CO₂) by means of chemical absorption is actually the most developed process. Steady state process simulation turned out as a powerful tool for the design of such CO₂ scrubbers. Besides steady state modeling, transient process simulations deliver valuable information on the dynamic behavior of the system. Dynamic interactions of the power plant with the CO₂ separation plant can be described by such models. Within this work a dynamic process simulation model of the absorption unit of a CO₂ separation plant was developed. For describing the chemical absorption of CO₂ into an aqueous monoethanolamine solution a rate based approach was used. All models were developed within the Aspen Custom Modeler^® simulation environment. Thermo physical properties as well as transport properties were taken from the electrolyte non-random-two-liquid model provided by the Aspen Properties^® database. Within this work two simulation cases are presented. In a first simulation the inlet temperature of the flue gas and the lean solvent into the absorber column was changed. The results were validated by using experimental data from the CO₂SEPPL test rig located at the Dürnrohr power station. In a second simulation the flue gas flow to the separation plant was increased. Due to the unavailability of experimental data a validation of the results from the second simulation could not be achieved.     

Development of a qualitative test method for the cleanability of polymer woven filter media

In this paper a new method for cleaning of filter media is presented, and the cleanability with different textures and surface finishes is compared. With the method described, it is possible to evaluate the quality of the cleaning process. According to the German VDMA standard cleaning test, riboflavin and malt extract are applied as model contaminants for evaluation of the cleaning results. To compare the cleanability of filter media with different properties and geometries the results are adapted to the law of mass transfer and to the Sherwood number, a dimensionless parameter describing the quality of a cleaning process.