Filtern
Dokumenttyp
- Zeitschriftenartikel (20)
- Posterpräsentation (20)
- Vortrag (15)
- Beitrag zu einem Tagungsband (4)
- Handbuch (1)
- Preprint (1)
- Forschungsdatensatz (1)
Sprache
- Englisch (47)
- Deutsch (14)
- Mehrsprachig (1)
Schlagworte
- Process Analytical Technology (21)
- Benchtop-NMR (15)
- NMR spectroscopy (10)
- Prozessanalytik (9)
- qNMR (9)
- Benchtop NMR (8)
- NMR-Spektroskopie (8)
- CONSENS (6)
- Industry 4.0 (4)
- Modular Production (4)
- Modular production (4)
- Online NMR Spectroscopy (4)
- Artificial Neural Networks (3)
- Cyber-Physical Systems (3)
- Interlaboratory Comparison (3)
- Mass Spectrometry (3)
- Metrology (3)
- Nuclear Magnetic Resonance Spectroscopy (3)
- Quantitative NMR Spectroscopy (3)
- AAA (2)
- Amino acid analysis (2)
- Calibration (2)
- Compact NMR Spectroscopy (2)
- ISO 17025 (2)
- Modulare Produktion (2)
- NIR (2)
- NMR Spectroscopy (2)
- Online-NMR-Spektroskopie (2)
- Partial Least Squares Regression (2)
- Process Control (2)
- Process analytical technology (2)
- Protein hydrolysis (2)
- Prozessindustrie (2)
- Quality Control (2)
- Quantitative NMR spectroscopy (2)
- Reference materials (2)
- Silane (2)
- Silanes (2)
- Temperature Control (2)
- Traceability (2)
- AAAA (1)
- Accreditation (1)
- Affinity chromatography (1)
- Antibodies (1)
- Aromatic amino acid analysis (1)
- Artificial neural networks (1)
- Benchtop NMR Spectroscopy (1)
- Benzene-1,3,5-tricarboxylic acid (1)
- Betriebspunktoptimierung (1)
- Biochemistry (1)
- Bisphenol-A (1)
- Bovine serum albumin (BSA) (1)
- Cell studies (1)
- Chemical Process Control (1)
- Chemical Production (1)
- Chemische Prozesskontrolle (1)
- Compact NMR (1)
- Compact NMR spectroscopy (1)
- Compound-independent calibration (1)
- Continuous Manufacturing (1)
- Continuous Processes (1)
- Continuous processes (1)
- Corundum (1)
- Cyber-physical systems (1)
- DFT (1)
- Data Fusion (1)
- Datenanalyse (1)
- Datenkonzepte (1)
- Dendrimer (1)
- Digital Transformation (1)
- Dispersions (1)
- Dye (1)
- Echtzeitoptimierungsverfahren (1)
- Ergot alkaloids (1)
- Esterification (1)
- Extraktion (1)
- Feldintegration (1)
- Field integration (1)
- First Principles (1)
- Flow NMR (1)
- Fluorescence spectroscopy (1)
- General Medicine (1)
- Grignard reaction (1)
- Grignard-Reaktion (1)
- GxP (1)
- Handbook (1)
- Histidine (1)
- Hydrazinolysis (1)
- Hydrochloric acid (1)
- Hydrogenation (1)
- Hydrogenierung (1)
- ISO/IEC 17025 (1)
- IT-OT-Testplattform (1)
- Imidazole (1)
- Indirect Hard Modeling (1)
- Indirect Hard Modelling (1)
- Industry 4.0, (1)
- Inline Analytics (1)
- Interlaboratory key comparison (1)
- Internal standard (1)
- Internal standards (1)
- Iterative real-time optimization (1)
- Kalibriertransfer (1)
- Kompost (1)
- Mass spectrometry (1)
- Messunsicherheit (1)
- Mikroplastik (1)
- Model Predictive Control (1)
- Modifier adaptation (1)
- Modifier-Adaptation (1)
- Molecular Biology (1)
- Multivariat (1)
- Multivariate Data Analysis (1)
- NIR Spectroscopy (1)
- NIST (1)
- NMR Method Validation (1)
- NMR Spektroskopie (1)
- NMR spetroscopy (1)
- Near Infrared Spectroscopy (1)
- Nonspecific binding (NSB) (1)
- Nuclear Magnetic Resonance (1)
- Nuclear magnetic resonance spectroscopy (1)
- Online NMR spectroscopy (1)
- Online-NMR spectroscopy (1)
- PANIC (1)
- PLSR (1)
- Particle synthesis (1)
- Phenylalanine (1)
- Phenylketonuria (1)
- Plant-model mismatch (1)
- Polyglycerol (1)
- Powder X-ray diffraction (1)
- Process Analytical Tecnology (1)
- Process Industry (1)
- Process control (1)
- Process monitoring (1)
- Process-NMR (1)
- Prozess-Steuerung (1)
- Prozesskontrolle (1)
- Purification (1)
- Purity assessment (1)
- QI-Digital (1)
- Quantitative protein analysis (1)
- Quantum Mechanics (1)
- Raman-Spektroskopie (1)
- Reaction Monitoring (1)
- Reactor control (1)
- Real-time process monitoring (1)
- Real-time quality control (1)
- Salicylic acid (1)
- Salts (1)
- Sapphire (1)
- Self-assembled monolayers (SAM) (1)
- Sensor (1)
- Sensors (1)
- Silica and polystyrene nanoparticles (1)
- Smart Sensors (1)
- Soil (1)
- Solid-phase extraction (SPE) (1)
- SsNMR (1)
- Structural Biology (1)
- Sum parameter method (1)
- Terephthalic acid (1)
- Thermostating (1)
- Tryptophan (1)
- Tyrosine (1)
- Uncertainty Evaluation (1)
- ValidNMR (1)
- Validation (1)
- Wasserstofftankstelle (1)
- Weighing Uncertainty (1)
- compost (1)
- pH probe (1)
Organisationseinheit der BAM
- 1.4 Prozessanalytik (62) (entfernen)
Paper des Monats
- ja (1)
Eingeladener Vortrag
- nein (15)
Improvement in deep process understanding is a mandatory prerequisite for the application of modern concepts like Industrial Internet of Things (IIoT) or “Industrie 4.0”. The direct hyphenation with online methods of process analytical technology (PAT) allows profound insights into the actual reactions within chemical and pharmaceutical production steps and provides necessary information for associated advanced control strategies.
While the industrial application of online Raman spectroscopy has already been successfully demonstrated, low-field NMR spectroscopy is not yet adequately developed as a robust online method for use in process industry. The high information content combined with the low calibration effort makes NMR spectroscopy a highly promising method for modern process automation with a high flexibility due to short set-up times and novel calibration concepts. This is a major advantage compared to other analytical methods, especially regarding multi-purpose plant strategies, as well as processes suffering from fluctuating quality of raw materials.
The work presented here focusses on the heterogeneous catalyzed hydrogenation of 2-butyne-1,4-diol, as a step of the synthesis of industrially important solvent tetrahydrofuran. This reaction is proceeding via an intermediate product and suffers from competitive reaction paths. In this application, online NMR and Raman spectroscopy were combined with data from classical process sensors, e.g., pressure, temperature, and flow transducers in a highly automated setup for the development of innovative control concepts.
Due to its advantages of being a direct comparison method, quantitative NMR spectroscopy (qNMR) becomes more and more popular in industry. While conventional high-field NMR systems are often associated with high investment and operational costs, the upcoming market of permanent-magnet based benchtop NMR systems show a considerable option for a lot of applications. The mobility of these systems allows to bring them more closely to the real production environment, e.g. for at-line quality control.
In this work we present an interlaboratory comparison study investigating the qNMR performance of state-of-the-art benchtop NMR spectrometers. Therefore, BAM prepared two samples of a mixture of NMR reference standards tetramethylbenzene (TMB) and tetrachloronitrobenzene (TCNB) at concentration levels of 200 mM and 10 mM. These “ready-to-use” samples were sent to participant laboratories, which performed analysis on their benchtop NMR equipment of different vendors and fields from 43 to 80 MHz. Raw data was reported back and further investigated by using different data analysis methods at BAM.
After this very first qNMR comparison study of benchtop NMR spectrometers show promising results, following studies are planned to cover more parts of the qNMR process, e.g. sample preparation and weighing, but also data analysis, as commonly done in similar studies for high-field NMR spectroscopy in industry and metrology.