Browsing by Subject "Thermodynamics"
Now showing items 1-10 of 10
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An ab initio study on the transition path of carbon dioxide at high pressure: evidence for a new intermediate P(4)over-barm2 phase
(Elsevier, 2019)The structural and dynamical behaviour of seventeen solid polymorph of the non-molecular CO2 compound was evaluated using the full potential linear augmented plane wave method (FP-LAPW) in the framework of density functional ... -
Carbon dioxide capture from flue gases using dry sorbents
(North-West University (South Africa)., 2021)The project entails capturing CO2 produced from industrial flue gases with dry adsorbents through gas adsorption to mitigate the CO2 emissions. Four commercially available activated carbon samples (CQ006, CQ30P, CQ650 and ... -
Competition between the hcp nonmagnetic and antiferromagnetic phases in the transition path of Fe under pressure
(Elsevier, 2020)Density functional theory is applied to investigate the relative stability of Fe in different phases (bcc, fcc and hcp) for both the nonmagnetic (NM), ferromagnetic (FM) and anti-ferromagnetic (AFM) states as well as the ... -
Cooperative pair problem solving : a teaching-learning strategy for tutorials in mechanical engineering thermodynamics
(North-West University (South Africa), Potchefstroom Campus, 2018)This study was conducted to find a solution to the problem of poor pass rates in the first introductory thermodynamics course that I teach, as well as to address the perception of students that the course is very demanding ... -
Cooperative pair problem solving: a strategy for problem solving tutorials in the engineering sciences
(Tempus Publications, 2015)Engineering science courses, such as Thermodynamics, are often seen as difficult, and students have difficulty understanding the concepts and solving the problems. In an effort to improve the situation, we developed a ... -
Cooperative pair problem solving: a teaching-learning strategy for tutorials in mechanical engineering thermodynamics
(North-West University, 2018)This study was conducted to find a solution to the problem of poor pass rates in the first introductory thermodynamics course that I teach, as well as to address the perception of students that the course is very demanding ... -
Interactions of 1-butyl-3-methylimidazolium hexafluorophosphate with N,N-dimethylformamide: density and viscosity measurements
(Elsevier, 2016)Physico-chemical properties: density (ρ) and viscosity (η) at (303.15, 313.15 and 323.15) K were measured for the binary mixtures of synthesized and characterized ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ... -
Interactions of ethyl acetoacetate with some (C4-C9) aliphatic ketones at 298.15 K: insight from volumetric studies
(Elsevier, 2016)Density of binary mixtures of ethyl acetoacetate (EAA) with straight chain aliphatic ketones butan-2-one, pentan-2-one, hexan-2-one, heptan-2-one, octan-2-one and nonan-2-one were measured at varying compositions of the ... -
Predicted dynamically stable new phase for CrO2 compound: DFT + U calculations
(Elsevier, 2019)The structural, vibrational, elastic, mechanical, thermodynamic and magnetic properties of CrO2 compound in different phases have been studied using first-principles calculations based on density functional theory. Because ... -
Solid state concerns during drug discovery and development: thermodynamic and kinetic aspects of crystal polymorphism and the special cases of concomitant polymorphs, co-crystals and glasses
(Bentham Science, 2017)During drug discovery and development the thermodynamics and kinetics of crystal form transitions must be studied and the fundamental properties of polymorphs must be identified. However, despite the accumulation of knowledge ...