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Understanding the impact of process parameters on the crystallization process within an integrated suspension melt crystallization pilot plant
No full textProject:
Developing environmentally-friendly and efficient purification technologies is an inevitable trend in the chemical industry.
Freeze concentration is gaining attention due to its high separation efficiency and low energy demands, relying only on electricity, which allows for integration with renewable energy sources and could be an alternative for dewatering processes like desalination and wastewater treatment.
To utilize the full potential of freeze concentration, the solid-liquid separation and purification of ice crystals are essential, and they are efficiently combined in continuously operated wash columns.
However, the complex operation of these columns and their connection to the suspension crystallization unit requires a fundamental understanding of the effects of different process parameters on the operating window and the quality attributes of the suspension, especially the particle size distribution.
Using a simple binary aqueous substance system with sodium chloride, the operating window of the scraped cooling crystallizer with a forced circulation loop is determined regarding the three main process parameters: the scraper rotational rate, the volume flow rate in the circulation loop, and the cooling rate.
A vibration measurement is implemented and validated as a suitable tool to detect unstable process conditions, such as a crystal layer formation on equipment walls. The effects of the process parameters on the particle size distribution are quantified and optimized to achieve a desired large median particle diameter and a narrow size distribution.
Here, the volume flow rate highly significantly affects the particle size distribution and the interaction with the scraper rotational and cooling rate shows a significant effect. Prioritizing the median particle diameter results in a diameter of 553 µm with a low volume flow, low scraper rotational, and low cooling rate. However, the stirred tank behavior results in a relatively broad distribution of 510 µm.
Data set:
The dataset provides a comprehensive collection of raw experimental data, processed analyses, and visual representations of crystallization experiments. The focus is on understanding the influence of scraper rotational rate, volume flow rate, and cooling rate on layer formation, particle size distribution, and vibration behavior at various operating points.
General Structure:
The dataset consists of three main categories:
Figures: opju files and PNG files (OriginLab project files containing experimental data, plots, and regressions and the corresponding pictures)
Raw_data: Excel files with raw data and analyses
Processed: data: Excel files with processed data
Operating Parameters (A, B, C):
The experiments were conducted with different combinations of the following parameters and four center point experiments:
A: Scraper rotational rate → 140 rpm or 70 rpm
B: Volume flow rate → 35 Hz (20 m³/h) or 15 Hz (8 m³/h)
C: Cooling rate → 3 K/10 min or 1 K/10 min
File Contents and Data Description:
Figures: opju Files (OriginLab Project Files)
Figure 1 (Sheet: SLE NaCl)
Experimental data on the solubility of sodium chloride in water
Quadratic regression with equation in comments
Figure 5 (Sheet: CP1-4)
Raw data from center point experiments CP 1-4
Mean values and standard deviation
Figure 6 (Sheet: Data points for plotting)
Graph with red squares (layer formation) and green spheres (no layer formation)
Figure 7 (Four different sheets: OPx and OPy)
Operating parameters A (scraper rotational rate), B (volume flow rate), and C (cooling rate)
Time data in seconds/minutes, energy input, temperature measurements
Figure 8 (Sheets: Effects & Regression)
Effects of operating parameters on particle size distribution
Regression values for d50 and d90-d10, standardized between 0 and 1
Image Files (PNG)
Figure 1: Experimental data on NaCl solubility with quadratic regression
Figure 5: Temperature trajectories, scraper blade drive current, and standard deviation of crystallizer acceleration
Figure 6a: Effects on layer formation with confidence intervals
Figure 6b: Operating window (stable/unstable conditions)
Figure 7a-d: Temperature and scraper current at different operating points
Figure 8 & 9: Influence of process parameters on particle size distribution
Processed data: Excel Files
Layer_new_X_Y and Layer_new_CP
Excel tables with raw vibration data of the operating points (X, Y, or CP = center points) and acceleration evaluation
Two sheets:
High scraper rotational rate (excluding center point experiments)
Low scraper rotational rate (excluding center point experiments)
Key columns:
Time data (seconds): Start time when process medium reaches 1°C
Acceleration values (xyz-direction): Raw data and derived metrics
Standard deviation & mean values over different time spans
SI: Evaluation DoE (Design of Experiments)
Summary of conducted experiments with respective operating points and parameters
Abbreviation: SD = Standard Deviation
Raw Data: Excel Files and videos
File name format: OperatingPoint_ScraperRotationalRate_VolumeFlow_CoolingRate_date
Contains:
Concentrations:
Measured sample weights in feed and concentrate containers
Calculation of NaCl weight fraction
Results:
Raw data from the human-machine interface (HMI)
Temperature data (process medium, melt loop, cooling medium)
Scraper blade energy input
For experiments without layer formation:
Additional vibration data (acceleration in x, y, z directions)
Particle Size Distribution (PSD) Results
File name format: PSDResults_OperatingPoint_ScraperRotationalRate_VolumeFlow_CoolingRate_date
Contains:
Cumulative distribution function (Q_i) → Characteristic variables and summation function
Characteristic parameters:
X_10, X_50 (median), X_90 (percentile values)
Agglomeration degree (Ag)
Probability density function (q_i):
Size distribution data for single crystals and agglomerates
Video Folder: QICPICVideos_OperatingPoint_ScraperRotationalRate_VolumeFlow_CoolingRate_date
Contains particle videos (only for experiments without layer formation)
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Experimental Data for: Internal Vibrational Energy Redistribution Precedes Energy Dissipation into the Solvent upon Photoexcitation of Heme Proteins
No full textThis project explores the fundamental mechanisms of energy dissipation in photoexcited heme proteins, with a focus on myoglobin and cytochrome c. This is the collected and simulated data used for the paper: "Internal Vibrational Energy Redistribution Precedes Energy Dissipation into the Solvent upon Photoexcitation of Heme Proteins" and is meant to give access to the data for other researchers to enable comparison and further research into this topic. Understanding how proteins manage excess energy is essential for uncovering biological processes such as allosteric communication, radiation protection, and enzyme activity regulation.
Using optical pump–THz probe (OPTP) spectroscopy, this study provides a time-resolved view of how vibrational energy, following photoexcitation at the Soret band, redistributes internally within the protein structure before dissipating into the surrounding aqueous solvent. The measurements reveal distinct time constants (~6–10 ps) that characterize energy flow into water, depending on the protein and solvent (H₂O vs D₂O), highlighting a significant isotope effect.
To interpret the experimental findings, the research integrates a computational thermal diffusion model that simulates energy propagation from the heme center outward. The model successfully reproduces the observed dynamics, supporting a diffusive, rather than ballistic, mode of energy transport through the protein matrix.
Overall, the project delivers key insights into protein–solvent thermal coupling, validates hierarchical vibrational relaxation pathways, and demonstrates the strength of OPTP spectroscopy as a tool for probing ultrafast biomolecular dynamics in a minimally invasive manner
Electronic appendix to thesis: "Multiscale approximations of integral equation-based solvation models"
No full textElectronic supplementary material to the doctoral thesis "Multiscale approximations of integral equation-based solvation models" by Lennart Eisel
Replication Data for: P-Centered Dibenzophospholyl Radical: A Matrix Isolation IR, UV/Vis and ESR Spectroscopic Study
No full textOrganophosphorus compounds are fundamental building blocks in organic synthesis, pharmaceuticals, and most notably as optoelectronic materials. In this study, we describe the generation and matrix isolation of a dibenzophosphole-based P-centered radical via photolysis or pyrolysis from an iodo precursor in Ar, and para-hydrogen (p-H2). The radical is experimentally characterized by infrared (IR), UV/Vis and electron spin resonance (ESR) spectroscopy. Based on a detailed analysis of the spectroscopic data, supported by quantum chemical calculations, the P-dibenzophospholyl radical is a π-radical with a 2B1 electronic ground state, where the unpaired electron resides in a p-orbital perpendicular to the molecular plane and with some degree of electron density delocalization over the aromatic rings. We compared the experimental and computational results of the P-dibenzophospholyl radical with its nitrogen analogue, the N-carbazolyl radical, which is a highly delocalized π-radical.
Dataset Description:
This dataset contains experimental data of IR and NMR spectra as well as the corresponding quantum chemical calculations of the spectra published in the manuscript "P-centered Dibenzophospholyl Radical: A Matrix isolation IR, UV-Vis and ESR Spectroscopic Study".
Spectra labeled as 'Figure...' are presented in the appropriate figures in the main text or the Supporting Information (SI). All captions follow the structure: Figure → compound → Matrix → (process) → spectroscopy
Klassische und populäre Satzmodelle
No full textKlassische und populäre Satzmodelle für den Harmonielehre-, Gehörbildungs- und Liedbegleitungsunterricht an der TU Dortmund
Anhang zur Dissertationsschrift: „Die Treppe wird immer von oben nach unten gekehrt“ (?) – Eine vergleichende Analyse der Steuerung und Umsetzung des Einsatzes sonderpädagogischer Lehrkräfte in inklusiven Grundschulen in zwei Bundesländern
No full textEs handelt sich um Anhänge der Dissertationsschrift. Der Anhang steht als Gesamtes als PDF-Datei sowie einzeln in Word-Dateien zur Verfügung.
A1: Interviewleitfaden
A2: Vorab-Fragebogen für sonderpädagogische Lehrkräfte
A3: Quellen Dokumentenanalyse
A4: Kodierregeln und Ankerbeispiele zu den berichteten und für weitere Analysen verwendeten Kategorien
A5: Tabellarische Zusammenfassung von Steuerungshandlungen; Ergebnisse Dokumentenanalys
Replication Data for: Hydrophilic-hydrophobic double layers around amphiphilic solutes in mixed solvents
No full textWe have investigated the solvation shell structure and composition of tert-butyl alcohol in water/1-propanol mixtures, using IR-solvation shell spectroscopy and molecular simulations. Specifically, we performed vibrational solvation shell spectroscopy from FTIR-ATR spectroscopy of amphiphilic solutes (2-methylpropan-2-ol; TBA) in water and 1-propanol mixtures. The experimental data was collected for two TBA concentration (0.5 M and 1 M) in eleven different solvent compositions, spanning from pure water to pure 1-propanol. Molecular simulations with classical force fields were performed at solvent compositions and TBA concentrations comparable to the experimental ones, and analysed to reveal the structure and composition of solvation shells.
The technical details regarding both theory and experimental data can be found in their respective readme files
Data Set - Development of a Novel Rotor Design for Counter-Current Centrifugal Extraction based on Computational Fluid Dynamics Simulations
No full textData sets concerning the experimental results presented in the publication Development of a Novel Rotor Design for Counter-Current Centrifugal Extraction based on Computational Fluid Dynamics Simulations.
A novel concept, termed counter‐current centrifugal extraction, is introduced in this work. Thereby, the primary objective is to validate the hypothesis that the process is feasible with a modified rotor design consisting of 10 chambers connected by individual ducts. Combined with alternating pump directions, this enables a pseudo‐continuous counter‐current flow. A proof of concept is investigated using computational fluid dynamics. The methodologies employed yield valuable insights into hydrodynamic performance. Based on these simulations, an optimized geometry for the flow area is developed, where 100% of the total chamber height is utilized as a dispersion zone compared with the previous 45%. The improvements result in elliptical chambers inclined at 35° to the radial direction, with a height of 6 mm and a volume of 1.43 mL. Additionally, baffles are placed inside the chambers opposite to the two inlets, enhancing dispersion of the inflowing phases. Finally, during alternating operation mode, it is demonstrated that ducts with a volume of 0.17 mL lead to an alternating phase ratio between 0.48 and 0.57 inside the chambers, which was repeatable over five simulated switches. This confirms the feasibility of the concept proposed based on hydrodynamics
Animation zum 3D-Modell eines athermal erstarrten Borids aus einer diffusionsgelöteten Verbindung mit Ni-Basislot
No full textAnimation des aus FIB-Milling-Bilddaten rekonstruierten und gerenderten dreidimensionalen Modells eines athermal erstarrten Borids. Die Rekonstruktion wurde mittels Machine-Learning-basierter Bildsegmentierung erzeugt und zeigt die intergranulare, athermal erstarrte Sprödphase aus der Mitte der Erstarrungszone (grün). Das Volumen der visualisierten Phase beträgt ca. 530 µm^3
G. F. Handel's Thoroughbass Exercises
No full textThis pedagogical edition of Handel's thoroughbass exercises is offered in portrait and landscape formats. The solutions are offered in simple, chordal style, as well as in a more complex, contrapuntal style. All files are given in PDF, Sibelius, and musicxml formats