Sökning: "temporal coarse graining"

Hittade 2 avhandlingar innehållade orden temporal coarse graining.

  1. 1. Multiscale Modeling of Molecular Sieving in LTA-type Zeolites : From the Quantum Level to the Macroscopic

    Författare :Amber Mace; Laaksonen Aatto; Tina Düren; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; CO2 separation; carbon capture; kinetic sieving; Zeolite A; Zeolite NaKA; cation exchange; temporal coarse graining; Kinetic Monte Carlo; Molecular Dynamics; AIMD; DFT; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : LTA-type zeolites with narrow window apertures coinciding with the approximate size of small gaseous molecules such as CO2 and N2 are interesting candidates for adsorbents with swing adsorption technologies due to their molecular sieving capabilities and otherwise attractive properties. These sieving capabilities are dependent on the energy barriers of diffusion between the zeolite pores, which can be fine-tuned by altering the framework composition. LÄS MER

  3. 2. Super-grid Linear Eddy Model (SG-LEM): Efficient mode- and regime-independent combustion closure for Large Eddy Simulation (LES)

    Författare :Abhilash Murlidharan Menon; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Large Eddy Simulation; Mapping-closure; Lagrangian splicing; Mesh coarse-graining.; Linear Eddy Model;

    Sammanfattning : Next-generation combustion technology such as ‘lean burn’ and HCCI (Homogeneous Charge Compression Ignition) present new challenges for  combustion modelling. The presence of locally varying combustion modes (premixed vs. non-premixed) and regimes (fast/non-fast chemistry vs. LÄS MER