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The impact of process parameters on the performance of a wash column in an integrated suspension melt crystallization pilot plant
No full textProject:
The development of efficient and environmentally friendly industrial purification technologies is becoming a key trend in the chemical industry. Suspension melt crystallization, also called freeze concentration, is gaining attention due to its high purification efficiency and low energy consumption, mainly when using renewable energy sources, as it only requires electricity. This technology could offer an alternative for dewatering processes such as desalination and wastewater treatment. Effective solid-liquid separation and crystal purification are essential to fully harness the benefits of suspension melt crystallization, typically achieved through continuously operated wash columns in an integrated plant. However, the complex operation of these columns and their integration with the suspension crystallization unit requires a deep understanding of how various process parameters influence the operating range and the purification efficiency. By a systematic experimental approach using a binary aqueous model substance system with sodium chloride, the performance of a mechanical piston-type wash column with a melt loop is determined regarding three process parameters: the wash front height, the melt loop temperature, and the compression time of the piston. Within stable operating conditions, the effects of the process parameters on the melt production rate and the purification efficiency are quantified and optimized for a high production rate with a high purification efficiency. The wash front height and the melt loop temperature significantly affect the purification efficiency, resulting in a value of about 99.9 % for both parameters on low values.
Dataset
This dataset contains raw and processed data used in the analysis of wash column crystallization processes. It includes measurements from center point experiments (CP), operating point experiments (OP), and calibration data, with a focus on purification efficiency, particle size distribution (PSD), melt and suspension temperatures, and other process parameters. Data is provided as both raw values and as aggregated statistics with standard deviations. Graphs referenced in associated Excel Origin files are also included, with corresponding PNG images for each figure presented in the related publication.
The experiments were conducted with different combinations of the following parameters and four center point experiments:
A: Wash front height → 1/3 to 2/3 of 24 cm total height
B: Melt temperature → 1 °C to 3 °C
C: Compression time → 1 to 5 s
Contents Overview:
Raw Data:
Center Point (CP) and Operating Point (OP) Experiments: Includes experimental values for conductivity, wash front position, melt temperature, suspension temperature, particle sizes (d50,3, d90,3–d10), pressures, and purification efficiency.
Production rates: Contains raw measurement values of the production rates and effect calculation.
Calibration Data: Contains raw measurement values with associated linear regression models for sensor calibration.
Wash front position.m: Matlab code to evaluate the wash front position from mp4 files.
Figures Data (Processed):
Aggregated averages and standard deviations from raw data for graphical representation.
Figures are grouped by topic (e.g., center point experiments, PSD comparisons, purification efficiency effects, calibration).
Each graph is traceable to an Origin file and specific graph number, with matching PNG exports for publication use.
Topics Covered:
Wash Front Tracking
Conductivity Profiles
Thermal Measurements (Melt/Suspension Temperature)
Particle Size Distribution (PSD)
Purification Efficiency and Operating Parameter Effects
Pump Frequency Influence on Operating Point B
Calibration Curves
File Types:
.txt, .xlsx, .opju (Origin project files), .png (graphs)
Use and Purpose:
This dataset supports the reproducibility of results from a study on optimization and performance analysis of wash column-based crystallization processes. It allows for further investigation of process parameter impacts on purification and crystal quality.
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Source data: Distinct solvation patterns of OH− versus H3O+ charge defects at electrified gold/water interfaces govern their properties
No full textThis project studies the distinct solvation structures of H3O+ and OH− ions on electrified gold surfaces.This is the source data used for the paper: "Distinct solvation patterns of OH– versus H3O+ charge defects at electrified gold/water interfaces govern their properties".
This dataset is meant to give access to the source data for other researchers to enable comparison and further research into this topic.
Understanding the solvation structures of OH– and H3O+ at metal interfaces is crucial for developing efficient electrochemical devices. In this paper, we present a detailed investigation of the solvation structures of OH– and H3O+ near gold electrodes under alkaline and acidic aqueous conditions, using ab initio molecular dynamics simulations at controlled surface charge density conditions. Our findings reveal that the adsorption
tendencies of OH– and H3O+ are strongly influenced by the oscillating net atomic charge of water normal to the electrified interface in concert with the distinct solvation patterns of these charge defects. While OH– preferentially adsorbs onto the gold surface within the first water layer, the positive net atomic charge restricts the closest
approach of H3O+ to beyond the first water layer. We unveil resting and active states that support charge transfer processes at the gold/water interface which critically involve Au atoms in a unique Grotthuss-like mechanism
Supplementary Material of "Multivariate and Multiple Contrast Testing in General Covariate-adjusted Factorial Designs"
No full textThis is the Supplementary Material of the paper Baumeister, M., Thiel, K. E., Matits, L., Zimmermann, G., Pauly, M., & Sattler, P. (2026). Multivariate and multiple contrast testing in general covariate-adjusted factorial designs. Journal of Multivariate Analysis, 214, 105617. https://doi.org/10.1016/j.jmva.2026.105617
The paper introduces multiple contrast test procedures (MCTPs) in a robust semiparametric MANCOVA model.
The R code for all simulation results and the data example and further supplementary material can be found here. For running the R files, the working directory need to be set to the path of this unpacked folder
Replication Data for: A Mechanistic Process Model for Suspension Melt Crystallization
No full textPROJECT DESCRIPTION:
The increasing global demand for freshwater, coupled with the challenges of climate change and declining groundwater resources, underscores the importance of effective water treatment methods.
Suspension melt crystallization, also known as freeze concentration, is a promising technique due to its ability to produce high-purity water from aqueous solutions while maintaining lower energy requirements than traditional evaporation processes.
This work focuses on developing a mechanistic model that incorporates hydrodynamics and energy balances to elucidate crystallization phenomena, such as nucleation and crystal growth rates.
The model is validated against experimental data derived from sodium chloride and magnesium sulfate water systems.
With the model, key nucleation and growth kinetics parameters can be successfully predicted to simulate and optimize temperature trajectories and particle size distributions.
This repository contains a structured research dataset developed using a modular workflow inspired by the gPROMS Process Builder Version 2.1.1.
The project includes two main models, multiple process scenarios, and several optimization routines.
Model Structure
Mechanistic_Model model: Contains all equations and the defined parameters and variables.
Parameter_set model: References the Mechanistic_model to set global parameters. Used as the foundation for all process simulations and optimizations.
Process Definitions
For each experimental operating point (Impuritiy_scraper rotational rate_volume flow rate_cooling rate, example: NaCl_210_8_1), a dedicated process file (example: NaCl_210_8_1) is provided. These include:
Input specifications (e.g. feed concentrations, flow rates, temperature)
Experimental results used for comparison and fitting
For NaCl_210_8_3 additional implementation of the task for conti simulation
Optimization Files
Several optimization scripts are included to fit model parameters based on specific operating conditions (Name: fit_parameter_impurity_scraper rotational rate_volume flow rate_cooling rate, example: fit_fhet_NaCl_210_8_1):
NaCl-tagged operating points:
fhet fitting for all NaCl cases
ksec fitting for all NaCl cases
ksec and glim joint optimization, limited to the special case: NaCl_210_8_3
All model, process, and optimization components are included as plain-text .txt files for transparency, reproducibility, and ease of reuse.
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Förderbezogene Diagnostik in Mathematik inklusive Lesen (ForMeL) (Version 1) [Datensatz]
No full text
Das Projekt ForMeL umfasst die Entwicklung, Erprobung, Evaluation und Dissemination eines
kombinierten förderorientierten Diagnostikinstruments von Mathematik- und
Lesekompetenz in inklusiven Schulen am Übergang von der Grundschule zur
Sekundarstufe I (Mentrop et al., 2025).
Der hier veröffentlichte Datensatz umfasst alle Daten aus der Hauptstudie. Diese wurde im Winter 2023/24 in 4. und 5. Schulklassen in NRW durchgeführt (N = 169). Enthalten sind die Daten zum entwickelten Diagnosetest. Dieser besteht aus 4 Themenkomplexen mit unterschiedlichen Schwierigkeitsgraden (Mentrop et al., 2025, Tab. 2). Die Reliabilitäten liegen im moderaten Bereich (zwischen α .63-.74; Mentrop et al., 2025, Tab. 1).
Zusätzlich finden sich folgende Dokumentationen:
statistische Berechnungen auf Basis des Datensatzes (Reliabilitätsanalysen, Clusterung zur Bildung von Fördertypen),
Codebook zu allen Variablen des Datensatzes,
der in ForMeL eingesetzte Diagnosetest,
eine Auswertungstabelle des Diagnosetests,
eine Auswertungsvorlage des Diagnosetests, die Lehrer*innen die Auswertung erleichtern soll.
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Replication Data for: Rydberg excitons in Cu2O at millikelvin temperatures
No full text
Raw and processed data shown in "Rydberg excitons in Cu2O at millikelvin temperatures". To be published. A preliminary technical report can be found here: https://arxiv.org/abs/2510.26966
Abstract: Rydberg excitons in the semiconductor Cu2O have been observed in absorption experiments up to a principal quantum number of n = 28 at millikelvin temperatures [1]. Here, we extend the experimental parameter space by variing both temperature and excitation power. In particular, we show that P excitons react more sensitively to an increase of the excitation power than states of the associated D exciton multiplet, even though the latter are located at comparatively higher energy. This finding is similar to the one observed when applying an external electric field, suggesting that the observed behavior arises from internal electric fields created by charged impurities that are optically ionized. At laser intensities below 1 μW/cm2, absorption lines of excitons with n = 29 are observed.
A thorough discussion of the figures is given in the related publication.
Files contain the data shown in figures 2-4 of the publication in ASCII format. No special software needed. The files contain the transmission and absorption of a probe laser that is scanned through the spectrum. First axis contains the photon energy in eV, second the transmission in arb. u. and third column contains the optical density (unitless) as -ln(T), where T is the transmission. A continuous background is subtracted from each absorption spectrum.
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LOCOTACT Experiment Metadata Block Configuration for Dataverse
No full textThis dataset contains a TSV-File for the configuration of a metadata block for data repositories based on Dataverse. The metadata block helps to describe datasets from the domain of thyroid hormon research as performed in the CRC/TRR 296 LOCOTACT. To add a metadata block to a Dataverse installation use the instructions in the Dataverse Admin Guide.
Methods
Together with researchers from the CRC/TRR 296 LOCOTACT, a metadata schema was developed for describing interdisciplinary research data on thyroid hormones with metadata. Metadata fields and controlled vocabulary terms of the LOCOTACT metadata schema were transferred into the TSV file format required by Dataverse for including customized metadata blocks. This TSV file was used in the internal LOCOTACT Dataverse as metadata block to support FAIR data storage and foster data exchange.</p
Replication Data for: Quantum Resource Theory of Lasers
No full textReplication Data for: "Quantum Resource Theory of Lasers"
The dataset contains the data to replicate the figures of the paper "Quantum Resource Theory of Lasers" [SUBMITTED].
It consists of three main directories:
- Figure Data: contains the processed data used to generate the figures
- James Cummings Simulations: contains the simulations executed in python as well as the raw simulation results which were used for the figures 5-11
- Density Matrix Reconstruction: contains reconstructed density matrices used to calculate the experimental results in figure 3
All results are saved in open formats. All columwise interpreted data is saved as .txt, all matrix data is saved as .csv, python scripts are saved as .py
For "Figure Data":
- The data is saved seperated by figure, so that each figure has its own subdirectory
For "James Cumming Simulations"
- The Data is saved seperated by the investigated origin of noise i.e. if the coherence is destroyd either by thermal noise or pure dephasing -> More information about the cases are found in the paper
For "Density Matrix Reconstruction":
- The Data is saved seperated by the expected Ratio between coherent to thermal photons, so that every Ratio has its own subdirectory
- The data set was generated on the 02.09.2025
- Each subdirectory contains a "Explanations.txt" file, which gives detailed information over each data subset
- The included scripts can be executed using python
- Experimental raw data is not included due to its size of over 100 GB. It is available from the authors upon reasonable request.
- The analysis of the experimental data as well as the procession of the simulation results were executed in matlab and are therefore not included in the dataset.
Explanations of their working principle are given in the "Explanations.txt" file
Analogieversuchsbasierte Auslegung partikelgedämpfter Werkzeugaufnahmen / Analogy-Based Design of Particle Damped Tool Holders
No full textDie vorliegenden High-Speed-Videos sind der "Analogieversuchsbasierten Auslegung partikelgedämpfter Werkzeugaufnahmen" zuzuordnen. Im Speziellen erfolgte eine sinusförmige Anregung der beiden Systeme mit unterschiedlicher Wandungsstruktur im Eigenfrequenzbereich mithilfe eines Shakers. Dabei lassen sich adäquate Bewegungen der 50%igen WC-ZrO2-Partikelbefüllung (d = 0,4...0,6 mm; ρ = 6,06 g/cm³) erkennen.
These high-speed videos are relate to the “Analogy-Based Design of Particle Damped Tool Holders”. Specifically, both systems with different surface structures were subjected to sinusoidal excitation in their natural frequency ranges using a shaker. Adequate movement of the 50% WC-ZrO2 particle filling (d = 0.4...0.6 mm; ρ = 6.06 g/cm³) can be observed.
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Optimization results for axially variable metal felt regenerators in Stirling engines
No full textThis data set contains simulation results generated with the numerical simulation code kpsim [1], which was developed at the Laboratory of Thermodynamics of TU Dortmund University. It is a one-dimensional differential, so-called “third-order” model for regenerative gas cycles, which is organized in a modular way, so that almost any such cycle may be mapped by combining various components from a library. The cycle modelled within this contribution corresponds to Stirling-mode operation of a convertible experimental machine, which was also designed, realized and investigated at this laboratory [2]. The numerical results are discussed in the related publication, which focuses on efficiency enhancements by regenerators with axially varying matrix structures in Stirling engines