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Optimal structural properties of carbon aerogel adsorbers for efficient and sustainable cooling.
Carbon aerogels are a promising water adsorber for sustainable cooling systems using waste heat. In the further development of these systems the adsorber needs to be tailored to specific applications. Thus the influence of the structural properties on the adsorption behaviour needs to be studied.
Keywords: Activated Carbon, Aerogel, Modelling, Simulation, Structure, Energy Efficiency
In contrast to conventional heat pumps in which a mechanical compressor transports the vapor from the cooling evaporation to the heating condensation chamber, thus driving the heat pump cycle, adsorption heat pumps make use of adsorption/desorption cycles of a refrigerant in a porous sorbent for the pumping. For adsorption the adsorber is usually cooled by a ambient heat source, whereas desorption is driven by a waste heat source. The efficiency of such an adsorption/desorption heat pump depends critically on the performance of the adsorber to adsorb large quantities of refrigerant within the heat range characteristic for the application. Water is a preferred refrigerant for heat pumping and air-conditioning applications due to its high latent heat density. Preferred materials have steep, step-like water adsorption isotherms or isobars in a particular operating range relevant for the application to maximize the amount of cycled water.
The porous activated carbon xerogel adsorber prototypes developed in our group broadly meet these criterion. However for further fine tuning the atomistic structure and its influence on the water adsorption behavior of the adsobers have to be better understood. The study of the atomistic structure of the activated carbon xerogel adsorbers using classical atomistic simulation tools will be the subject of this project.
In contrast to conventional heat pumps in which a mechanical compressor transports the vapor from the cooling evaporation to the heating condensation chamber, thus driving the heat pump cycle, adsorption heat pumps make use of adsorption/desorption cycles of a refrigerant in a porous sorbent for the pumping. For adsorption the adsorber is usually cooled by a ambient heat source, whereas desorption is driven by a waste heat source. The efficiency of such an adsorption/desorption heat pump depends critically on the performance of the adsorber to adsorb large quantities of refrigerant within the heat range characteristic for the application. Water is a preferred refrigerant for heat pumping and air-conditioning applications due to its high latent heat density. Preferred materials have steep, step-like water adsorption isotherms or isobars in a particular operating range relevant for the application to maximize the amount of cycled water.
The porous activated carbon xerogel adsorber prototypes developed in our group broadly meet these criterion. However for further fine tuning the atomistic structure and its influence on the water adsorption behavior of the adsobers have to be better understood. The study of the atomistic structure of the activated carbon xerogel adsorbers using classical atomistic simulation tools will be the subject of this project.
The goals of this project are:
- Validation and comparison of model carbon structures created with newly developed tool with results from literature.
- Study of the influence of chemical composition and crystallinity on atomistic structure, pore size distribution and composition of pore surfaces.
- Link with experimental results and results form semi-empirical analytical water adsorption models.
- Identification of the critical properties of the atomistic structure influencing the water adsorption behavior. Guidelines for future optimisation and tailoring of activated carbon xerogel adsorbers.
The project will be adapted to the interest and knowledge of the student to either include optimisation and adaptation of the in-house developed computational tools or the synthetisation of novel xerogel adsorbers based on gained theoretical knowledge.
The goals of this project are:
- Validation and comparison of model carbon structures created with newly developed tool with results from literature. - Study of the influence of chemical composition and crystallinity on atomistic structure, pore size distribution and composition of pore surfaces. - Link with experimental results and results form semi-empirical analytical water adsorption models. - Identification of the critical properties of the atomistic structure influencing the water adsorption behavior. Guidelines for future optimisation and tailoring of activated carbon xerogel adsorbers.
The project will be adapted to the interest and knowledge of the student to either include optimisation and adaptation of the in-house developed computational tools or the synthetisation of novel xerogel adsorbers based on gained theoretical knowledge.