Št. zadetkov: 15
Diplomsko delo
Oznake:
voda;vodikove vezi;normalne tekočine;modeliranje;računalniške simulacije;metoda Monte Carlo;Mercedes-Benz model vode;termodinamika;strukturne lastnosti;diplomska dela;
Izvedene so bile Monte Carlo simulacije v NVT ansamblu, z namenom da bi preučili strukturne in termodinamične lastnosti 2D Mercedes-Benz modela vode. Preučili smo kakšne strukturne lastnosti ima model pri različnih temperaturah in gostotah. Uporabljen model nam omogoča tudi neodvisno spreminjanje r ...
Leto:
2019
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
voda;modeli vode;integralna enačba;simulacije;
Monte Carlo simulations and Wertheim’s thermodynamic perturbation theory (TPT) are used to predict the phase diagram and percolation curve for the simple two-dimensional rose model of water. In the rose model of water, the water molecules are modelled as two-dimensional Lennard-Jones disks, with add ...
Leto:
2022
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
voda;lastnosti vode;porozni medij;
The properties of water are vastly affected by its local environment or in other words the system in which water is present. There are many systems in which water is confined in pores of different sizes and shapes. We studied the system in which porous media consisted of quenched Lennard-Jones disks ...
Leto:
2022
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
voda;modeli vode;anomalije;Monte Carlo simulacije;
The density, diffusion, and structural anomalies of the simple two-dimensional model of water were determined by Monte Carlo simulations. The rose model was used which is a very simple model for explaining the origin of water properties. Rose water molecules are modelled as two-dimensional Lennard-J ...
Leto:
2023
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
molekulska dinamika;model vode;simulacije;
The Mercedes Benz (MB) model of water is quite popular for explaining the properties of water, but the complete phase diagram has not yet been published. In the MB model, water molecules are modelled as two-dimensional Lennard-Jones discs, with three orientation-dependent hydrogen-bonding arms arran ...
Leto:
2024
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
voda;modeli vode;Mercedes-Benz model;molekulska dinamika;
The Mercedes-Benz (MB) water model is a simple two-dimensional toy model of water that can reproduce many of the anomalous properties of water. Within the model, the water particles are represented as Lennard-Jones disks with explicitly added orientation-dependent interactions that mimic the formati ...
Leto:
2024
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Magistrsko delo
Oznake:
voda;Mercedes-Benz model vode;vrtnični model;teorija integralskih enačb;termodinamična perturbacijska teorija;termodinamika;solvatacija nepolarnega topljenca;Monte Carlo simulacije;magistrska dela;
Wertheimovo teorijo integralskih enačb (IET) in termodinamično perturbacijsko teorijo prvega reda (TPT) za asocirajoče tekočine smo aplicirali na vrtnični model vode. Vrtnični model je preprost dvodimenzionalni model vode, podoben Mercedes-Benz (MB) modelu vode. Prednost vrtničnega modela je, da je ...
Leto:
2021
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
termodinamika;asociacija ionov;acetonitril;metanol;dimetil sulfoksid;
The molar conductivities, Λ, of dilute solutions of potassium cobalt(III) bis(1,2-dicarbollide) (K[COSAN]) in methanol (MeOH), acetonitrile (MeCN) and dimethyl sulfoxide (DMSO) were determined at different temperature ranges. The data were analysed in the frame of Barthel’s low-concentration chemica ...
Leto:
2023
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Izvirni znanstveni članek
Oznake:
dodekaborat;surfaktanti;samourejanje;micele;kalorimetrija;simulacije;dodecaborate;surfactants;self-assembly;micelles;calorimetry;simulations;
Hypothesis: To challenge the classical concept of step-like micellization of ionic surfactants with singular critical micelle concentration, novel amphiphilic compounds with bulky dianionic head and the alkoxy tail connected via short linker, which can complex sodium cations, were synthesized in th ...
Leto:
2023
Vir:
Fakulteta za kemijo in kemijsko tehnologijo (UL FKKT)
Diplomsko delo
Oznake:
zaključne seminarske naloge;geografske diplome;klimatogeografija;kolesarjenje;cestni promet;trajnostna mobilnost;Slovenija;Ljubljana;
Vpliv vremena na kolesarjenje v Ljubljani
Leto:
2016
Vir:
Filozofska fakulteta (UL FF)