Sökning: "expanded ensembles"

Hittade 2 avhandlingar innehållade orden expanded ensembles.

  1. 1. Variance Reduction in Analytical Chemistry : New Numerical Methods in Chemometrics and Molecular Simulation

    Författare :K. Magnus Åberg; Sven P. Jacobsson; Richard G. Brereton; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; chemometrics; pulse-coupled neural networks; peak alignment; class separability; molecular dynamics; Monte Carlo; expanded ensembles; free energy; Analytical chemistry; Analytisk kemi;

    Sammanfattning : This thesis is based on five papers addressing variance reduction in different ways. The papers have in common that they all present new numerical methods. LÄS MER

  3. 2. Modelling of Drug Release from Reservoir and Matrix Formulations - Multiple Unit Dosage Forms and Swelling and Dissolving Matrix Systems

    Författare :Per Borgquist; Avdelningen för kemiteknik; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; swelling; XEDS; Chemical technology and engineering; Kemiteknik och kemisk teknologi; Polymer technology; biopolymers; Polymerteknik; Pharmaceutical and related technologies; Läkemedelsteknik och relaterad teknik; simulation; single pellet; single-unit release; SEM; reservoir system; poly ethylene oxide ; film-coated; matrix; mathematical model; diffusion; pellet shape; controlled release; polymer dissolution; modelling; ethyl cellulose; Coating; multiple-unit release;

    Sammanfattning : In this work, mathematical models have been developed describing drug release from film-coated reservoir systems as well as drug release and polymer dissolution from swelling and dissolving polymer tablets. The model derivation of both systems is based on a mechanistic approach. The model describing drug release from reservoir systems, i.e. LÄS MER