Search for dissertations about: "hydrocarbon chemistry"

Showing result 1 - 5 of 68 swedish dissertations containing the words hydrocarbon chemistry.

  2. 1. Theoretical Studies of Natural Gas Hydrates and H-bonded Clusters and Crystals

    Author : Yuan Liu; Lars Ojamäe; Per-Olov Käll; Ben Slater; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In this thesis H-bonded systems (natural gas hydrates, water clusters, and crystal ice) are studied by density functional theory (DFT) computations.Natural gas hydrates (NGHs) play an important role in energy and environmental fields: NGHs are considered as a promising backup energy resource in the near-future due to their tremendous carbon content; improper exploration of NGHs could induce geological disasters and aggravate the greenhouse effect. READ MORE

  4. 2. Green aromatics for a bio-based economy - Valorization of biomass derived model compounds over zeolites studied by online analysis

    Author : Christopher Sauer; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; online analysis; zeolite; biomass conversion; catalysis; 2; 5-dimethylfuran;

    Abstract : In the strive towards sustainable chemical production, its carbon-based products can no longer be produced from fossil resources but need to be manufactured from a renewable feedstock. Simple aromatic building blocks like benzene, toluene and xylenes (BTX) can be obtained by catalytic valorization of biomass derived platform molecules such as furans provided efficient catalysts can be formulated. READ MORE

  5. 3. Quantum Chemical Exploration of Nitriles in Prebiotic Chemistry and Astrobiology

    Author : Hilda Sandström; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; metadynamics; astrochemistry; iminoacetonitrile; hydrogen cyanide; acrylonitrile; azotosome; Titan;

    Abstract : The Universe hosts countless different chemical environments, such as planets, moons, comets and the interstellar medium. The diverse pressures, temperatures and chemical compositions of these environments make a wide variety of processes possible. READ MORE

  6. 4. Manganese and Iron Heterodimers and Homodimers in Enzymes : Insights from Density Functional Theory

    Author : Katarina Roos; Per Siegbahn; Margareta R. A. Blomberg; Frank Neese; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Ribonucleotide reductase; manganese; iron; density functional theory; kemisk fysik; Chemical Physics;

    Abstract : The enzyme ribonucleotide reductase (RNR) catalyzes the reduction of ribonucleotides to deoxyribonucleotides, the building blocks of DNA, and is essential for all organisms. Canonical class I RNR R2 proteins use a diiron cofactor to generate a tyrosyl radical, which is required for catalysis. READ MORE

  7. 5. The effect of framework structure on N2O formation over Cu-based zeolites during NH3-SCR reactions

    Author : Ghodsieh Isapour Toutizad; Chalmers tekniska högskola; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; CHA; MFI; Zeolites; SCR; Ammonium nitrate; Nitrous Oxide; BEA; Infrared spectroscopy; Catalysis;

    Abstract : Anthropogenic nitrous oxide (N2O), which is generally formed as a byproduct of industrial chemical processes and fossil fuel combustion, has attracted significant attention in recent years due to its destructive role in global warming and ozone layer depletion. Among different developed technologies applied for lean NOx reduction, the selective catalytic reduction (SCR) of NOx with ammonia (as a reducing agent) is presently the most used method. READ MORE