Sökning: "Molecular particle models"

Visar resultat 1 - 5 av 47 avhandlingar innehållade orden Molecular particle models.

  1. 1. Development and Applications of Detailed Kinetic Models for the Soot Particle Size Distribution Function

    Författare :Karl Netzell; Förbränningsfysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Fysik; flamelet model; Physics; particle distribution; soot; moment method; sectional method; particle size distribution function;

    Sammanfattning : Two different mathematical methods of implementing a detailed kinetic soot model have been employed in this work. The theoretical description of the soot modeling employed in this work is divided into three parts. Initially a detailed kinetic soot model is described from a chemistry and physics perspective. LÄS MER

  3. 2. Estimating Effective Interactions from Particle Trajectories

    Författare :Kolbjörn Tunström; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Mori-Zwanzig projection; Force matching; United atoms; Multi-scale molecular dynamics; Coarse-graining; Molecular dynamics thermostat; Inverse Monte Carlo; Dissipative particle dynamics; Swarming;

    Sammanfattning : The theoretical and practical understanding of molecular systems is strongly dependent on computer simulations. All-atom molecular dynamics techniques are capable of sim- ulating systems on the scale of millions of particles up to about 100 ns. LÄS MER

  4. 3. Modeling of dielectrophoresis in micro and nano systems

    Författare :Yuan Lin; Gustav Amberg; Hywel Morgan; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Dielectrophoresis; micro particle; molecular dynamics; single-walled carbon nanotubes; hydrodynamics; particle-particle interaction; superimposed; multi-step; Fluid mechanics; Strömningsmekanik;

    Sammanfattning : This thesis presents models and simulations of dielectrophoretic separation of micro and nano particles. The fluid dynamics involved and the dielectric properties of water inside single-walled carbon nanotube are studied as well. LÄS MER

  5. 4. Numerical modeling of dielectrophoresis

    Författare :Yuan Lin; Gustav Amberg; Olof Runborg; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; dielectrophoresis; orientation of rotation; fluid particle dynamics; microparticle; molecular dynamics; hydrodynamics; particle-particle interaction; superimposed; mobility; Fluid mechanics; Strömningsmekanik;

    Sammanfattning : We investigate the dielectrophoretic separation of microparticles. Two different models are formulated in two characteristic time scales. The first model mainly accounts for the orientation behavior and rotational motion of non-spheric microparticles. The concept of effective charge is suggested to calculate the finite size non-spheric particles. LÄS MER

  7. 5. Elucidating the molecular basis of Na+/H+ exchange

    Författare :Pascal F. Meier; David Drew; Simon Newstead; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; membrane protein; secondary-active transporter; Solute Carrier Transporter; ion-exchange; sodium proton exchanger; potassium proton exchanger; protein structure; cryo-EM; regulation; biokemi; Biochemistry;

    Sammanfattning : Solute carrier (SLC) transporters are membrane transport proteins, which catalyse the movement of nutrients, ions, and drugs across cell membranes. Here, I will present our contribution to understanding the mechanism of the sodium/proton exchangers (NHE), belonging to the SLC9 family of membrane transporters. LÄS MER