Blar i NTNU Open på forfatter "Trinh, Thuat"
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Rare event simulations reveal subtle key steps in aqueous silicate condensation
Moqadam, Mahmoud; Riccardi, Enrico; Trinh, Thuat; Lervik, Anders; van Erp, Titus Sebastiaan (Journal article; Peer reviewed, 2017)A replica exchange transition interface sampling (RETIS) study combined with Born-Oppenheimer molecular dynamics (BOMD) is used to investigate the dynamics, thermodynamics and mechanism of the early stages of the silicate ... -
Reliable Water to Rural Districts in Tanzania
Evang, Ingebjørg Hovland; Bakken, Nina Bjørnvold (Master thesis, 2021)Nesten halvparten av befolkningen i de rurale områdene i Tanzania er uten tilgang til sikre vannkilder. Befolkningen må bruke mye tid på å samle vann, og drikkevannsbårne sykdommer forårsaket av forurenset vann er vanlig. ... -
Reliable Water to Rural Districts in Tanzania - Studies of water availability, quality and customer perception in the districts of Hanang, Mbulu and Mkalama
Evang, Ingebjørg Hovland; Bakken, Nina Bjørnvold (Master thesis, 2021)Nesten halvparten av befolkningen i de rurale områdene i Tanzania er uten tilgang til sikre vannkilder. Befolkningen må bruke mye tid på å samle vann, og drikkevannsbårne sykdommer forårsaket av forurenset vann er vanlig. ... -
The Role of Chloride ion in the Silicate Condensation Reaction from ab Initio Molecular Dynamics Simulations
Ho, Thi H.; Do, Tuong Ha; Tong, Hien Duy; Meijer, Evert Jan; Trinh, Thuat (Journal article; Peer reviewed, 2023)The comprehension of silicate oligomer formation during the initial stage of zeolite synthesis is of significant importance. In this study, we investigated the effect of chloride ions (Cl–) on silicate oligomerization using ... -
Selectivity and self-diffusion of CO2 and H2 in a mixture on a graphite surface
Trinh, Thuat; Vlugt, Thijs J.H.; Hagg, May-Britt; Kjelstrup, Signe; Bedeaux, Dick (Journal article; Peer reviewed, 2013)We performed classical molecular dynamics (MD) simulations to understand the mechanism of adsorption from a gas mixture of CO2 and H2 (mole fraction of CO2 = 0.30) and diffusion along a graphite surface, with the aim to ... -
Structural, Mechanical, Electronic and Thermodynamic Analysis of Calcium Aluminum Silicate Crystalline Phases in Stone Wool Insulation Materials: A first-principles study
Ho, Thi H.; Ha, Do Tuong; Hoang, Nguyen-Hieu; Wilhelmsen, Øivind; Trinh, Thuat (Peer reviewed; Journal article, 2023)Stone wool materials have gained considerable attention due to their effectiveness as thermal and acoustic insulation solutions. The comprehension of crystal structure properties is pivotal in determining the overall ... -
Temperature anisotropy at equilibrium reveals nonlocal entropic contributions to interfacial properties
Wilhelmsen, Øivind; Trinh, Thuat; Lervik, Anders (Journal article, 2018)Density gradient theory for fluids has played a key role in the study of interfacial phenomena for a century. In this work, we revisit its fundamentals by examining the vapor-liquid interface of argon, represented by the ... -
Thermal conductivity of carbon dioxide from non-equilibrium molecular dynamics: a systematic study of several common force fields
Trinh, Thuat; Vlugt, Thijs J.H.; Kjelstrup, Signe (Journal article; Peer reviewed, 2014)We report a systematic investigation of the thermal conductivity of various three-site models of carbon dioxide (CO2) using nonequilibrium molecular dynamics in the temperature range 300–1000 K and for pressures up to 200 ... -
Thermodynamic Characterization Of Two Layers Of CO2 On A Graphite Surface
Trinh, Thuat; Bedeaux, Dick; Simon, Jean-Marc; Kjelstrup, Signe (Journal article; Peer reviewed, 2014)We find by examination of density profiles that carbon dioxide adsorbs on graphite in two distinct layers. We report the activity coefficient, entropy and enthalpy for CO2 in each layer using a convenient computational ... -
Thermodynamic Properties of Hydrogen Dissociation Reaction from the Small System Method and Reactive Force Field ReaxFF
Trinh, Thuat; Eriksen, Nora Meling; Bedeaux, Dick; Kjelstrup, Signe (Journal article, 2017)We present thermodynamic properties of the H2 dissociation reaction by means of the Small System Method (SSM) using Reactive Force Field (ReaxFF) simulations. Thermodynamic correction factors, partial molar enthalpies and ...