Aachener Beiträge zur Technischen Thermodynamik – serie
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21 produkter
Efficient Measurement of Liquid–Liquid Equilibria Using Automation and Optimal Experimental Design
Häftad, 2015
590 kr
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Knowledge of the phase behavior of liquid–liquid systems is indispensable for the design and optimization of process equipment. However, the ab initio prediction of liquid–liquid equilibria (LLE) is not yet reliable. Therefore, experimental generation of LLE data is still necessary. Current methods …
From Life-Cycle Assessment towards Life-Cycle Design of Carbon Dioxide Capture and Utilization
Av Niklas Vincenz von der Aßen
Häftad, 2015
590 kr
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Ever since humans have existed, they have impacted the earth in many different ways (Redman, 1999). Currently, important impacts are associated with the excessive use of non-renewable fossil fuels such as coal, oil and natural gas. Most fossil fuels are used for electricity generation, heating and …
Reaction Models from Reactive Molecular Dynamics and High-Level Kinetics Predictions
Häftad, 2017
590 kr
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The design and optimization of complex chemical processes is a key challenge in chemical engineering and requires knowledge of the underlying kinetic model. This information can be obtained from experiments by inverting the reaction mechanism, which needs to be known therefore. Solving this inverse …
Integrated Computer-Aided Design of Molecules and Processes using COSMO-RS
Häftad, 2018
590 kr
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Optimal performance of chemical processes requires both optimized operating conditions and carefully selected molecules such as solvents. However, the search for optimal molecules and process concepts often has a limited focus: Either processes are optimized using a pre-defined set of molecules or …
Decision Support for the Synthesis of Energy Systems by Analysis of the Near-Optimal Solution Space
Häftad, 2019
577 kr
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Synthesis of energy systems is a complex design task with a plethora of decision options. To evaluate these decision options, mathematical optimization is often used to identify the optimal solution. However, for decision support, more information than just the optimal solution is required. The …
COSMO-RS-Based Methods for Improved Modelling of Complex Chemical Systems
Av Peyman Yamin
Häftad, 2019
590 kr
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The conductor-like screening model for realistic solvation (COSMO-RS) is applied to study three case studies of complex chemical systems. In the first chapter, cellulose solubility in ionic liquid (IL) solvents is considered and a molecular model for cellulose is presented for the calculation of …
Technology Choice Model for Consequential Life Cycle Assessment
Häftad, 2020
590 kr
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Consequential Life Cycle Assessment (CLCA) aims at capturing the environmental consequences of decisions such as the introduction of a new technology, the implementation of a policy, or the purchase of a product. CLCA combines technical and economic modeling approaches to track the consequences of …
Model-based Framework for Optimal Systems Integration of Adsorption Chillers
Häftad, 2021
577 kr
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The global demand for cooling increases and poses a challenge for the stability of electrical grids and the emission targets. Thermally-driven adsorption chillers can meet this challenge by substituting electricity with thermal energy. However, although adsorption chillers are primarily driven by …
Uncertainty Analysis in Matrix-Based Life Cycle Assessment
Häftad, 2022
590 kr
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Results of life cycle assessment (LCA) studies are affected by uncertainties from various sources. These uncertainties decrease the reliability of LCA results. While uncertainty cannot be avoided, the impact of uncertainty can be quantified using uncertainty analysis. Still, despite recommendations …
Decarbonization of Copper Production by Optimal Demand Response and Power-to-Hydrogen
Häftad, 2022
586 kr
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To avoid greenhouse gas (GHG) emissions and mitigate climate change, low-carbon technologies must be used to provide renewable energy and replace fossil fuels. However, this system transition is very material-intensive and leads to high demand for critical materials. Copper is such a material that …
Predictive Life Cycle Assessment for Chemical Processes using Machine Learning
Häftad, 2022
586 kr
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Due to the growing awareness of climate change, the chemical industry is increasingly considering not only economic but also ecological criteria in process development. Thus, environmental assessment methods are required that can be applied in early process development stages to support …
Novel Acceleration Methods and Improved Transition State Finding Approaches for the Automatic Exploration of Reaction Networks
Av Lukas Krep
Häftad, 2023
590 kr
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Reaction models are important for many engineering tasks, such as the optimization of internal combustion engines or production lines in the chemical industry. The automated reaction space exploration method ChemTraYzer attempts to alleviate the often time-consuming reaction model development …
Life-Cycle Assessment of Low-Carbon Technologies from Screening to Integrated Energy System Design
Av Sarah Deutz
Häftad, 2023
590 kr
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Climate change mitigation requires a massive reduction of greenhouse gas (GHG) emissions and even negative emissions in the near future. To achieve GHG mitigation, low-carbon technologies are developed. However, environmental benefits are not generally proven since most technologies require …
Integrated Design of Process and Working Fluids for Organic Rankine Cycles
Häftad, 2016
590 kr
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This thesis presents systematic extensions of the continuous-molecular targeting framework for the integrated design of working fluids and ORC processes. In the first step of the proposed method, a simultaneous optimization of working fluid and process allows for the identification of an optimal …
Model-based Design of Product, Solvent and Process for Formic Acid Synthesis from CO2 and H2
Häftad, 2018
586 kr
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Today humanity faces a challenge: Global warming that is caused by emissions of CO2. To reduce CO2 emissions, usage of CO2 as a renewable carbon source has gained attention. In particular, the CO2-based synthesis of formic acid has been intensively studied, since in addition to utilizingCO2, formic …
Optimization-Based Synthesis of Large-Scale Energy Systems by Time-Series Aggregation
Av Björn Bahl
Häftad, 2018
590 kr
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Global greenhouse gas emissions significantly accelerate climate change and adversely affect life on earth. To mitigate these effects, greenhouse gas emissions need to be cut-down by significant reductions in primary energy consumption. Primary energy consumption can be reduced by increasing the …
Design Approach for Adsorption Energy Systems Integrating Dynamic Modeling with Small-Scale Experiments
Häftad, 2018
577 kr
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Adsorption energy systems can be driven by thermal energy from waste heat or the sun and thereby allow reducing fossil energy consumption and thus reduce global greenhouse gas emissions. Adsorption heat pumps and chillers can provide heating or cooling, adsorption thermal energy storage allows …
Assessment of Adsorbents for Drying by Experiments and Dynamic Simulations
Häftad, 2019
590 kr
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In order to slow down global warming, greenhouse gas emissions must be reduced. Human-caused greenhouse gas emissions come primarily from consumption of fossil energy. In order to reduce the consumption of fossil energy, the demand is rising for energy-efficient technologies. One promising …
Physically-Based Models for the Analysis of Raman Spectra
Häftad, 2020
590 kr
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In recent years, spectroscopy has developed into an increasingly valuable tool to determine the composition of mixtures; for scientific questions as well as for the industry. The increasing use of spectroscopy raises the question how to best use the obtained data. For the analysis of spectral data, …
From Model-based Experimental Design and Analysis of Diffusion and Liquid-Liquid Equilibria to Process Applications
Av Ludger Wolfgang Michael Wolff
Häftad, 2021
590 kr
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Diffusion and liquid-liquid equilibria (LLE) data are of major importance for the design of chemical processes as, e.g., extraction. Unfortunately, predictive equations for diffusion and LLE are not yet sufficiently accurate. The development of predictive equations suffers both from complex …
Prediction of Reaction Rate Constants for the Synthesis of Microgels
Häftad, 2021
577 kr
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The accurate prediction of reaction kinetics data, e.g., reaction rate constants, for the microgel synthesis is highly desired because its usage in model-based design approaches promises the development of more specialized microgels and enables new applications. The complexity and the diversity of …
