A5085011902- Chemical and Physical Properties in Aqueous Solutions
- Thermodynamic properties of mixtures
- Phase Equilibria and Thermodynamics
- Ionic liquids properties and applications
- Spectroscopy and Quantum Chemical Studies
- Flexible and Reconfigurable Manufacturing Systems
- Computational Drug Discovery Methods
- Manufacturing Process and Optimization
- Enzyme Catalysis and Immobilization
- Machine Learning in Materials Science
- Surfactants and Colloidal Systems
- Topic Modeling
- Laser-induced spectroscopy and plasma
- Analytical Chemistry and Chromatography
- Sentiment Analysis and Opinion Mining
- Social Robot Interaction and HRI
- Product Development and Customization
- Advanced Text Analysis Techniques
- Cultural Heritage Materials Analysis
- Advanced Chemical Physics Studies
- Various Chemistry Research Topics
- Chemical Thermodynamics and Molecular Structure
- Zeolite Catalysis and Synthesis
- Microfluidic and Capillary Electrophoresis Applications
- Free Radicals and Antioxidants
Universität Hamburg
2016-2025
Hamburg University of Technology
2016-2025
Federal Institute for Geosciences and Natural Resources
2020-2023
Leibniz University Hannover
2023
Bluegrass Advanced Materials (United States)
2020
ZHAW Zurich University of Applied Sciences
2017
RWTH Aachen University
2011-2015
Université de Lorraine
1999
Centre National de la Recherche Scientifique
1999
Universitäts-Frauenklinik des Saarlandes
1997
This paper presents a novel approach for multi-lingual sentiment classification in short texts. is challenging task as the amount of training data languages other than English very limited. Previously proposed approaches typically require to establish correspondence which powerful classifiers are already available. In contrast, our method does not such supervision. We leverage large amounts weakly-supervised various train multi-layer convolutional network and demonstrate importance using...
Sugar (fatty acid) esters are industrially relevant compounds, with a cumbersome production process due to the solubility issues of substrates, which forces use environmentally unfriendly reaction media. Herein, deep eutectic solvents (DESs) considered as promising solution: several literature examples glucose and different acyl donors illustrate efficient synthesis sugar in classic DESs like choline chloride/urea (ChCl/U). However, this paper discloses that when sugars lactose or other...
Mineral exploration and active mining relies on extensive drilling campaigns that produce large numbers of drill cores. LIBS is ideally suited for their fast effective measurement, but matrix effects complicate quantitative geological applications due to the amount different minerals, rock types, lithologies, as well all textural optical parameters increasing physical effects. This challenging application in exploration, since data processing highly depends matrix-matched models. The...
A new electrolyte model, which is based on the predictive thermodynamic model COSMO‐RS, presented. For this purpose, an implementation of COSMO‐RS that allows integration multiple segment descriptors was developed. To aid in development a technique presented evaluation different contributions interaction terms to partial molar enthalpies. General empirical energy equations are introduced into model. They parameterized large training set mean ionic activity coefficients as well liquid–liquid...
Abstract Industry 4.0 is all about interconnectivity, sensor-enhanced process control, and data-driven systems. Process analytical technology (PAT) such as online nuclear magnetic resonance (NMR) spectroscopy gaining in importance, it increasingly contributes to automation digitalization production. In many cases up now, however, a classical evaluation of data their transformation into knowledge not possible or economical due the insufficiently large datasets available. When developing an...
In this work, we studied the liquid–liquid equilibrium of ternary systems containing nonionic surfactant Triton X-114, inorganic salts, and water. The salt impact five different sodium salts (NaCl, NaBr, NaI, Na2SO4, Na2HPO4) four chlorides KCl, LiCl, NH4Cl) was investigated. influence additives at 30 °C because temperature all prepared mixtures faced a separation above cloud point (CPT) in micellar (surfactant-rich) aqueous (surfactant-lean) phase. salting-out ability cations follows series...
A priori calculation of thermophysical properties and predictive thermodynamic models can be very helpful for developing new industrial processes. Group contribution methods link the target property to contributions based on chemical groups or other molecular subunits a given molecule. However, fragmentation molecule into its is usually done manually impeding fast testing development group large databases molecules. The aim this work develop strategies overcome challenges that arise when...
The prediction of solvation free energies is essential for a variety applications. Solvation neutral systems can be predicted quite accurately. accuracy predictions ionic solutes dissolved in solvents, however, has been reported to worse by at least 1 order magnitude. In this study, the performance three approaches energy several hundred ions solvents evaluated. applied methods are COSMO-RS, cluster continuum model (CCM) together with and COSMO-RS-ES. It emphasized that reference data...
The characterization of terpene-based eutectic solvent systems is performed to describe their solid–liquid phase transitions. Physical properties are measured experimentally and compared computed correlations for deep solvents (DES) the percentage relative error er density, surface tension, refractive index obtained. thermodynamic parameters, including degradation, glass transition crystallization temperatures, using DSC TGA. Based on these data, equilibrium diagrams calculated ideal case...
We present the strategic development of a synthetic onepot two-step process for manufacture acetyl-protected hydroxystyrenes from phenolic acid substrates using environmentally benign (bio)catalysts in an eco-friendly solvent.
Predicting the physicochemical properties of ionizable solutes, including solubility and lipophilicity, is broad significance. Such predictions rely on accurate determination solvation free energies for ions. However, limited availability high-quality reference data poses a challenge in developing accurate, inexpensive computational prediction methods. In this study, we address both issues quality availability. We present three databases models related to ionic phenomena: 1 (1) 8,241 pK...
Predicting the physicochemical properties of ionizable solutes, including solubility and lipophilicity, is broad significance. Such predictions rely on accurate determination solvation free energies for ions. However, limited availability high-quality reference data poses a challenge in developing accurate, inexpensive computational prediction methods. In this study, we address both issues quality availability. We present three databases models related to ionic phenomena: 1 (1) 8,241 pK...
openCOSMO-RS is an open-source predictive thermodynamic model that can be applied to a broad range of systems in various chemical and biochemical engineering domains. This study focuses on improving by introducing new dispersion term based atomic polarizabilities. We evaluate different methods for processing polarizability data, including scaling combining it compute segment-segment interaction energies, with focus halocarbon systems. The results demonstrate the modified outperforms our...
Predicting the physicochemical properties of ionizable solutes, including solubility and lipophilicity, is broad significance. Such predictions rely on accurate determination solvation free energies for ions. However, limited availability high-quality reference data poses a challenge in developing accurate, inexpensive computational prediction methods. In this study, we address both issues quality availability. We present three databases models related to ionic phenomena: 1 (1) 8,241 pK...