Search for dissertations about: "entropy of melting"

Showing result 1 - 5 of 14 swedish dissertations containing the words entropy of melting.

  1. 1. Computational Analysis of Aqueous Drug Solubility – Influence of the Solid State

    Author : Carola Wassvik; Per Artursson; Anders G Holmén; Valentino J. Stella; Uppsala universitet; []
    Keywords : Pharmaceutics; intrinsic solubility; solubility prediction; drug solubility; solid state; melting point; enthalpy of melting; entropy of melting; solvation; free energy of hydration; QSPR; multivariate analysis; PCA; PLS; Galenisk farmaci;

    Abstract : Aqueous solubility is a key parameter influencing the bioavailability of drugs and drug candidates. In this thesis computational models for the prediction of aqueous drug solubility were explored. READ MORE

  2. 2. Macroscopic Volume and Free Volume of Polymer Blends and Pressure-densified Polymers

    Author : Marcus Schmidt; Chalmers University of Technology; []
    Keywords : free-volume theories; refractive index; Lorentz-Lorenz equation; loss tangent; Avrami equation; freezing fractions; copolymers; polymer blends; pressure dilatometry; Tait equation of state; free-volume distributions; pressure-densified polymers; entropy of melting; dynamic-mechanical analysis; positronium; positron annihilation; free volume; cavity size; polymers; bulk modulus; PVT; phase separation; compressibility; thermal expansivity;

    Abstract : The macroscopic volume V as a function of pressure P and temperature T is obtained from PVT measurements. PVT data is sensitive to the state of polymers and changes therein. Moreover, PVT data gives access to the free-volume fraction. READ MORE

  3. 3. Additive Manufacturing of Ferritic Materials : A Journey from Stainless Steels to High-Entropy Alloys

    Author : Dennis Karlsson; Ulf Jansson; Martin Sahlberg; Eduard Hryha; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Additive Manufacturing; Laser Powder Bed Fusion; Binder Jetting; Ferritic Stainless Steel; High Entropy Alloy; Mechanical Properties;

    Abstract : Design of new materials with complex geometries is an important part of new innovative solutions for technical applications. With the use of additive manufacturing (AM), the design possibilities are endless and geometries that are impossible to manufacture by conventional techniques are available. READ MORE

  4. 4. Structural, Kinetic and Thermodynamic Aspects of the Crystal Polymorphism of Substituted Monocyclic Aromatic Compounds

    Author : Michael Svärd; Åke Rasmuson; Hugo Meekes; KTH; []
    Keywords : ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; Polymorphism; crystallization; thermodynamics; kinetics; nucleation; crystallography; solubility; phase equilibria; polymorphic transformation; solution history; metastable zone; classical theory of nucleation; two-step theory of nucleation; cluster; crystal structure prediction; lattice energy; molecular mechanics; force field; electrostatic potential; potential energy hypersurface; m-aminobenzoic acid; m-hydroxybenzoic acid; Chemical engineering; Kemiteknik;

    Abstract : This work concerns the interrelationship between thermodynamic, kinetic and structural aspects of crystal polymorphism. It is both experimental and theoretical, and limited with respect to compounds to substituted monocyclic aromatics. READ MORE

  5. 5. Enzyme Cold Adaptation through Evolution of Protein Flexibility

    Author : Jaka Sočan; Johan Åqvist; Hugo Gutiérrez-de-Terán; Janez Mavri; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; EVB; Empirical valence bond method; Pancreatic elastase; α-amylase; Enzyme catalysis; Enzyme evolution; Cold adaptation; Temperature dependence of catalytic rates; Psychrophilic enzyme; Molekylär biovetenskap; Molecular Life Sciences;

    Abstract : What lives, evolves. Macromolecular catalysis is a process, central to both evolutionary and metabolic aspect of life, as it provides a systematic bias favouring certain chemical processes. READ MORE