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An automated pipeline for comprehensive calculation of intermolecular interaction energies based on molecular force-fields using the Tinker molecular modelling package is presented. Starting with non-optimized chemically intuitive monomer structures, the pipeline allows the approximation of global minimum energy monomers and dimers, configuration sampling for various monomer-monomer distances, estimation of coordination numbers by molecular dynamics simulations, and the evaluation of differential pair interaction energies. The latter are used to derive Flory-Huggins parameters and isotropic particle-particle repulsions for Dissipative Particle Dynamics (DPD). The computational results for force fields MM3, MMFF94, OPLSAA and AMOEBA09 are analyzed with Density Functional Theory (DFT) calculations and DPD simulations for a mixture of the non-ionic polyoxyethylene alkyl ether surfactant C10E4 with water to demonstrate the usefulness of the approach.
In this work a mathematical approach to calculate solar panel temperature based on measured irradiance, temperature and wind speed is applied. With the calculated module temperature, the electrical solar module characteristics is determined. A program developed in MatLab App Designer allows to import measurement data from a weather station and calculates the module temperature based on the mathematical NOCT and stationary approach with a time step between the measurements of 5 minutes. Three commercially available solar panels with different cell and interconnection technologies are used for the verification of the established models. The results show a strong correlation between the measured and by the stationary model predicted module temperature with a coefficient of determination R2 close to 1 and a root mean square deviation (RMSE) of ≤ 2.5 K for a time period of three months. Based on the predicted temperature, measured irradiance in module plane and specific module information the program models the electrical data as time series in 5-minute steps. Predicted to measured power for a time period of three months shows a linear correlation with an R2 of 0.99 and a mean absolute error (MAE) of 3.5, 2.7 and 4.8 for module ID 1, 2 and 3. The calculated energy (exemplarily for module ID 2) based on the measured, calculated by the NOCT and stationary model for this time period is 118.4 kWh, resp. 116.7 kWh and 117.8 kWh. This is equivalent to an uncertainty of 1.4% for the NOCT and 0.5% for the stationary model.
Advanced Determination of Temperature Coefficients of Photovoltaic Modules by Field Measurements
(2023)
In this work data from outdoor measurements, acquired over the course of up to three years on commercially available solar panels, is used to determine the temperature coefficients and compare these to the information as stated by the producer in the data sheets. A program developed in MatLab App Designer allows to import the electrical and ambient measurement data. Filter algorithms for solar irradiance narrow the irradiance level down to ~1000 W/m2 before linear regression methods are applied to obtain the temperature coefficients. A repeatability investigation proves the accuracy of the determined temperature coefficients which are in good agreement to the supplier specification if the specified values for power are not larger than -0.3%/K. Further optimization is achieved by applying wind filter techniques and days with clear sky condition. With the big (measurement) data on hand it was possible to determine the change of the temperature coefficients for varying irradiance. As stated in literature we see an increase of the temperature coefficient of voltage and a decline for the temperature coefficient of power with increasing irradiance.
Measurement studies are essential for research and industry alike to understand the Web’s inner workings better and help quantify specific phenomena. Performing such studies is demanding due to the dynamic nature and size of the Web. An experiment’s careful design and setup are complex, and many factors might affect the results. However, while several works have independently observed differences in
the outcome of an experiment (e.g., the number of observed trackers) based on the measurement setup, it is unclear what causes such deviations. This work investigates the reasons for these differences by visiting 1.7M webpages with five different measurement setups. Based on this, we build ‘dependency trees’ for each page and cross-compare the nodes in the trees. The results show that the measured trees differ considerably, that the cause of differences can be attributed to specific nodes, and that even identical measurement setups can produce different results.
Cookie notices (or cookie banners) are a popular mechanism for websites to provide (European) Internet users a tool to choose which cookies the site may set. Banner implementations range from merely providing information that a site uses cookies over offering the choice to accepting or denying all cookies to allowing fine-grained control of cookie usage. Users frequently get annoyed by the banner’s pervasiveness as they interrupt “natural” browsing on the Web. As a remedy, different browser extensions have been developed to automate the interaction with cookie banners.
In this work, we perform a large-scale measurement study comparing the effectiveness of extensions for “cookie banner interaction.” We configured the extensions to express different privacy choices (e.g., accepting all cookies, accepting functional cookies, or rejecting all cookies) to understand their capabilities to execute a user’s preferences. The results show statistically significant differences in which cookies are set, how many of them are set, and which types are set—even for extensions that aim to implement the same cookie choice. Extensions for “cookie banner interaction” can effectively reduce the number of set cookies compared to no interaction with the banners. However, all extensions increase the
tracking requests significantly except when rejecting all cookies.
Moderating Role of Self-control Strength with Transformational Leadership and Adaptive Performance
(2013)
Based on a longitudinal sample of employees from the U.S. financial services industry (N=121), the present research examined the impact of transformational leadership on followers’ adaptive performance in change processes. Follower personality was taken into account as boundary condition by testing, if follower self-control strength as an individual trait moderated the relationship between transformational leadership and adaptive performance. In line with the developed hypothesis, results from a latent moderated structural equation model showed that followers’ self-control strength attenuated the relationship between transformational leadership and adaptive performance. Implications for research and practice are discussed.