Search for dissertations about: "CHEMICAL process modeling"

Showing result 1 - 5 of 233 swedish dissertations containing the words CHEMICAL process modeling.

  2. 1. Metal-exchanged zeolites for NH3-SCR applications - Activity and Deactivation studies

    Author : Soran Shwan; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; modeling; NOX.; Hydrothermal; Chemical; Kinetic; Copper; Deactivation; Iron; Zeolite; Nitrogen oxides; NH3; Ammonia; Catalyst; NSR; Emissions; Poisoning; Ageing; NH3-SCR;

    Abstract : Emissions of nitrogen oxides (NOX) formed during the burning process in internal combustion engines is a major contributor to global air pollutions. One effective way to reduce NOX in lean environments, i.e. oxygen excess is selective catalytic reduction with ammonia (NH3-SCR). READ MORE

  4. 2. Microkinetic Modeling of Nanoparticle Catalysis using Density Functional Theory

    Author : Mikkel Jørgensen; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Density Functional Theory; Methane oxidation; Mean-field approximation; Microkinetic modeling; Kinetic Monte Carlo; Nanoparticles; Entropy; CO oxidation; Catalysis;

    Abstract : Heterogeneous catalysis is vitally important to modern society, and one path towardsrational catalyst design is through atomistic scale understanding. The atomistic scalecan be linked to macroscopic observables by microkinetic models based on first-principlescalculations. READ MORE

  5. 3. Direct conversion of methane-to-methanol: transition-metal dimer sites in small-pore zeolites: First-principles calculations and microkinetic modeling

    Author : Unni Engedahl; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; partial methane oxidation; microkinetic modeling; SSZ-13; CHA; alloy; transition metals; zeolites; density functional theory;

    Abstract : Direct conversion of methane to methanol is a highly desired reaction. Partially oxidizing methane into a liquid fuel at ambient temperature and pressure would enable utilization of natural gas and biogas to a much larger extent than what is possible today. READ MORE

  6. 4. Modeling the influence of magnesium from alternative raw materials on the chemistry of Portland cement clinker

    Author : Erik Viggh; Rainer Backman; Dan Boström; Bo Björkman; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Thermodynamic modeling; process modeling; Portland cement; clinker; periclase; magnesium oxide; alite; Scheil calculation; solid solutions; Physical Chemistry; fysikalisk kemi;

    Abstract : The methods used in this thesis work were a combination of computational and modeling based laboratory experiments.Thermodynamic process modeling of the cement clinker process offers a tool for evaluating how changes in raw materials and process parameters affect the clinker quality. READ MORE

  7. 5. Hybrid Solvents based on Ionic Liquids/Deep Eutectic Solvents for CO2 Separation : Experiments, Modeling, Process Simulation and Evaluation

    Author : Chunyan Ma; Xiaoyan Ji; Päivi Mäki-Arvela; Luleå tekniska universitet; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; CO2 separation; Ionic liquids; Deep eutectic solvents; Cosolvent; Thermodynamic modeling; Process simulation and evaluation; Energiteknik; Energy Engineering;

    Abstract : CO2 separation plays a vital role in reducing CO2 emissions to combat climate change, in which solvent-based absorption is widely considered the most promising technology. Many conventional chemical and physical solvents have been introduced for CO2 separation, still facing challenges. READ MORE