Essays about: "Poisson-Boltzmann"

Found 5 essays containing the word Poisson-Boltzmann.

  1. 1. Molecular Insights into the Interactions of Monovalent Cations with Highly charged Fatty Acid Monolayers

    University essay from KTH/Kemi

    Author : Ran Carlhamn Rasmussen; [2023]
    Keywords : VSFS; Langmuir monolayer; ion specific effects; modified Poisson Boltzmann; carboxylic acid; VSFS; Langmuir monolager; jonspecifika effekter; modifierad Poisson Boltzmann; karboxylsyra;

    Abstract : Vibrational sum frequency spectroscopy har använts för att studera interaktionerna mellan monovalenta joner och laddade fettsyramonolager. Subfasen bestod av utvalda alkalihydroxidsaltlösningar med pH12, med huvudfokus på cesiumjonen. READ MORE

  3. 2. Charging behaviour of the amine moiety at the air-water interface. A vibrational sum frequency study

    University essay from KTH/Yt- och korrosionsvetenskap

    Author : Mikael Gullstrand; [2021]
    Keywords : Langmuir monolayers; Vibrational Sum Frequency Spectroscopy; Fatty amine; Monovalent ions; Poisson Boltzmann theory; Langmuirmonolager; Vibrationssumfrekvensspektroskopi; Fettkedjeamin; Monovalenta joner; Poisson-Boltzmann-teori;

    Abstract : Laddningsbeteendet hos amingruppen vid ytgränsskiktet mellan vatten och luft har studerats under ändring av vattenfasens pH och NaCl-koncentration via den ickelinjära laserspektroskopiska tekniken, vibrationssumfrekvensspektroskopi (VSFS). Modellen som användes för ytan bestod av ett Langmuirmonolager av 1-docosanamin, en icke-löslig fettkedjeamin med NH2-gruppen riktad mot vattenfasen. READ MORE

  4. 3. Molecular insight into ion interactions at charged interfaces exposing sulfonate headgroups

    University essay from KTH/Yt- och korrosionsvetenskap

    Author : Hugo Widehammar; [2021]
    Keywords : Langmuir monolayers; Vibrational Sum Frequency Spectroscopy; Fatty sulfonic acid; Monovalent ions; Poisson Boltzmann theory; Langmuir monolager; vibrations sumfrekvens spektroskopi; fettsulfonsyra; monovalenta joner; Poisson Boltzmann teori;

    Abstract : Hur elektrolytlösningar interagerar med laddade ytor är viktigt för många fenomen. I detta arbete undersöktes samspelet mellan flera joner med en negativt laddad yta som exponerade sulfonat funktionella grupper mot lösning. Särskild vikt lades på deprotoneringsbeteendet vid ytan. READ MORE

  5. 4. Calculating Ligand-Protein Binding Energies from Molecular Dynamics Simulations

    University essay from KTH/Skolan för kemivetenskap (CHE)

    Author : Anders Hermansson; [2015]
    Keywords : Molecular Dynamics; Linear Interaction Energy; Enzyme Design; Lipase; Binding Energy;

    Abstract : Indications that existing parameter sets of extended Linear Interaction Energy (LIE) models are transferable between lipases from Rhizomucor Miehei and Thermomyces Lanigunosus in complex with a small set of vinyl esters are demonstrated. By calculat- ing energy terms that represents the cost of forming cavities filled by the ligand and the complex we can add them to a LIE model with en established parameter set. READ MORE

  6. 5. Investigation of the micelle-to-vesicle transition in mixtures of an anionic and a cationic surfactant: the effect of adding salt

    University essay from KTH/Skolan för kemivetenskap (CHE)

    Author : Josefine Leifsdotter; [2012]
    Keywords : SDS; DDAB; NaBr; Static light scattering; cryo-TEM; drug delivery; perforated vesicles; Krafft point;

    Abstract : Catanoinic systems spontaneously form micelles and vesicles, which are self-assembled spherical structures made up by surfactants. In the core of the micelle a drug, or other organic substance, can be kept to stabilize it when placed in an aqueous environment. READ MORE