27 KB182 KB22 KB199820252006Škerjanc, Jožeštevilka:3letnik:537 stranistr. 331-337ISSN:1318-0207COBISSID:27967749URN:URN:NBN:SI:doc-5TWIA85XenSlovensko kemijsko društvoActa chimica slovenicaelektrolitielektrostatski potencialfizikalna kemijafulerenimodeliosmozaPoisson-Boltzmannova enačbaraztopinetermodinamikaWater-soluble highly charged fullerene derivatives as spherical electrolytes. Electrostatic contributions to thermodynamic functions of systems containing mixtures of counterions differing in charge and size|The Poisson-Boltzmann equation has been solved to obtain the electrostatic potential for the spherical cell model of a fullerene molecule at which charged functional groups are attached. The fullerene macroion is surrounded by mixtures of small counterions differing in size and charge. The electrostatic internal and free energies, degree of binding of counterions, osmotic coefficient, and distribution of counterions around the charged fullerene shell are calculated. These properties are presented as functions ofradii, charges and mole fractions of counterionsZ rešitvijo Poisson-Boltzmannove enačbe za sferični celični model smo izračunali elektrostatski potencial okrog fulerenove molekule, na kateri so pripete nabite funkcionalne skupine. Fulerenov makroion obdajajo majhni protiioni, ki se razlikujejo tako po velikosti kot po naboju. Izračunali smo elektrostatsko notranjo in prosto energijo, stopnjo vezanja protiionov, osmozni koeficient in porazdelitev protiionov okrog nabite fulerenove molekule. Prikazali smo odvisnost teh količin od velikosti, naboja in molskega ulomka protiionovTEXTznanstveno časopisjejournalsSlovenian National E-content AggregatorNational and University Library of SloveniaSlovensko kemijsko društvo