Explosive Boiling of Water on a Hot Copper Plate: A Molecular Dynamics Simulation Study

2020 ◽  
Vol 35 ◽  
pp. 18-28
Author(s):  
Muhammad Rubayat Bin Shahadat ◽  
A.K.M.M. Morshed
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Liquid Water ◽  
Hydrophobic Surface ◽  
Copper Plate ◽  
Dynamics Simulation ◽  
Hydrophilic Surface ◽  
Explosive Boiling ◽  
Different Temperatures ◽  
Simulation Results

Non-equilibrium molecular dynamics simulations have been employed to study the explosive boiling phenomena of water over a hot copper plate. The molecular system was comprised of three sections: solid copper wall, liquid water, and water vapor. A few layers of the liquid water were placed on the solid Cu surface. The rest of the simulation box was filled with water vapor. Initially, the water molecules were equilibrated by using Berendsen thermostat at 298 K. Then heat was given to the copper plate at different temperatures so that explosive boiling occurs. After achieving the equilibrium by performing the previous two steps, the liquid water at 298 K is suddenly dropped on the hot plate. NVE ensemble was used in the simulation and the temperature of the copper plate was controlled to different temperatures with phantom atom thermostat. Four temperatures (400K, 500K, 650 K and 1000K) were taken to study the explosive boiling. The simulation results show that, the explosive boiling temperature of water on Cu plate is 500 K temperature. At this point, the energy flux was found 1.79x108 J/m3 which is very promising with the experimental results. Moreover, if the temperature of the surface was increased the explosive boiling occurred at a faster rate. The simulation results also show that explosive boiling occurs earlier for the hydrophilic surface than hydrophobic surface as for the hydrophilic surface the water attracted the Cu plate more than the hydrophobic surface and so the amount of energy transfer is more for the hydrophilic surface.

Nano Sized Bubble Formation, Growth and Collapse in Liquid Water by Central Heating: A Molecular Dynamics Simulation

2019 ◽  
Author(s):  
Muhammad Rubayat Bin Shahadat ◽  
AKM M. Morshed ◽  
Amitav Tikadar ◽  
Titan C. Paul ◽  
Jamil A. Khan
Keyword(s):  
Molecular Dynamics ◽  
Liquid Water ◽  
Structural Parameters ◽  
Bubble Formation ◽  
Dynamics Simulation ◽  
Central Heating ◽  
Simulation Domain ◽  
Short Period ◽  
Different Temperatures ◽  
Non Equilibrium Molecular Dynamics

Abstract Non-equilibrium Molecular Dynamics (NEMD) Simulation has been employed to investigate the nanobubble generation, growth and collapse in liquid water. The center molecules (240 water molecule) of the simulation domain were heated at five different temperatures (400K, 800K, 1500K, 2100K and 2800K) by velocity scaling for a very short period of time and the radius of the nano sized bubble was calculated. At 400K temperature, no nano bubble is formed but as temperature increases, nano bubble forms and the radius of the nano bubble increases. TIP-3P potential model has been used to predict the structural parameters of water molecules. The SHAKE algorithm has been employed to hold the bonds of O-H and H-O-H as rigid. The results obtained from the simulation were then compared with the results got from Rayleigh-Plesset Equation in order to show the discrepancy of MD simulation and the Hydrodynamic model. The simulation results indicate that Rayleigh-Plesset equation is not valid for prediction the formation, growth and collapse of nano bubble in liquid water because of its uncertainty in predicting the surface tension and ignoring the viscosity.

scholarly journals Ab initio molecular dynamics simulation of liquid water and water–vapor interface

2001 ◽  
Vol 115 (21) ◽  
pp. 9815-9820 ◽  
Author(s):  
Peter Vassilev ◽  
Christoph Hartnig ◽  
Marc T. M. Koper ◽  
Frédéric Frechard ◽  
Rutger A. van Santen
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Liquid Water ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics ◽  
Vapor Interface

Molecular Simulation on Explosive Boiling of Water on a Hot Copper Plate

2013 ◽  
Author(s):  
Yijin Mao ◽  
Yuwen Zhang
Keyword(s):  
Liquid Film ◽  
Liquid Water ◽  
Water Film ◽  
Copper Plate ◽  
Dynamics Simulation ◽  
Bulk Liquid ◽  
Water Molecules ◽  
Confined Space ◽  
Explosive Boiling ◽  
Short Period

In this paper, molecular dynamics simulation is carried out to study the explosive boiling of liquid water film heated by a hot copper plate in a confined space. A more physically-sound thermostat is applied to control the temperature of the metal plate and then to heat water molecules that are placed in the elastic wall confined simulation domain. The results show that liquid water molecules close to the plate are instantly overheated and undergo an explosive phase transition. A huge pressure in the region between liquid film and hot copper plate formed at the beginning and leads to a low density vapor region by partially vaporizing water film. A non-vaporization molecular layer, with a constant density of 0.2 g/cm3, tightly attached to the surface of the plate is observed. The z-component of COM (center of mass) trajectory of the liquid film in the confined space is tracked and analyzed. The one-dimensional density profile indicates the water film have a piston-like motion after short period of explosive boiling. Temperatures at three corresponding regions, which are vapor, liquid, and vapor from the top plate surface, are also computed and analyzed along with the piston-like motion of the bulk liquid film.

A Molecular Dynamics Simulation of Bubble Nucleation on Solid Surface in Explosive Boiling

2009 ◽  
Author(s):  
Yu Zou ◽  
Xiulan Huai
Keyword(s):  
Molecular Dynamics ◽  
Solid Surface ◽  
Liquid Water ◽  
Water System ◽  
Bubble Nucleation ◽  
Dynamics Simulation ◽  
Explosive Boiling ◽  
Surface Molecules ◽  
Underwater Blast ◽  
Ghost Atom

A bubble nucleation on solid surface in explosive boiling is simulated by molecular dynamics method. Liquid water on a solid surface is heated until a bubble is nucleated. Liquid water is represented by 10368 simple point charge molecules, and the solid surface is represented by three layers of harmonic molecules which are arranged in an fcc style. The increasing rate of temperature is realized by the temperature control technology of the solid surface molecules. Temperature and pressure of water system is calculated in the process of bubble nucleation. A “ghost atom” is used to estimate the volume of the bubble void, and the diameters of the cavitation are calculated. The bubble growth rate is determined by statistics on the bubble diameters. It indicates that expanding and shrinking alternate all the time, which has a same trend as in an underwater blast. The nucleation rate of the simulation is estimated at 30 orders of magnitude by calculating the nucleation time and the volume of the bubble void. Radial distribution function in the process of nucleation indicates a measure of the structure of the water system in the process of bubble nucleation.

scholarly journals The Impact of the Electric Field on Surface Condensation of Water Vapor: Insight from Molecular Dynamics Simulation

Nanomaterials ◽  
2019 ◽  
Vol 9 (1) ◽  
pp. 64 ◽  
Author(s):  
Qin Wang ◽  
Hui Xie ◽  
Zhiming Hu ◽  
Chao Liu
Keyword(s):  
Molecular Dynamics ◽  
Water Vapor ◽  
Electric Field ◽  
Intermolecular Forces ◽  
Dynamics Simulation ◽  
Water Molecules ◽  
Attraction Force ◽  
Condensation Rate ◽  
Shape Transformation ◽  
The Impact

In this study, molecular dynamics simulations were carried out to study the coupling effect of electric field strength and surface wettability on the condensation process of water vapor. Our results show that an electric field can rotate water molecules upward and restrict condensation. Formed clusters are stretched to become columns above the threshold strength of the field, causing the condensation rate to drop quickly. The enhancement of surface attraction force boosts the rearrangement of water molecules adjacent to the surface and exaggerates the threshold value for shape transformation. In addition, the contact area between clusters and the surface increases with increasing amounts of surface attraction force, which raises the condensation efficiency. Thus, the condensation rate of water vapor on a surface under an electric field is determined by competition between intermolecular forces from the electric field and the surface.

scholarly journals Effect of the Hybrid Hydrophobic-Hydrophilic Nanostructured Surface on Explosive Boiling

Coatings ◽  
2021 ◽  
Vol 11 (2) ◽  
pp. 212
Author(s):  
Ming-Jun Liao ◽  
Li-Qiang Duan
Keyword(s):  
Liquid Film ◽  
Coating Thickness ◽  
Bubble Nucleation ◽  
Onset Temperature ◽  
Dynamics Simulation ◽  
Hydrophilic Surface ◽  
Pillar Width ◽  
Nanostructured Surface ◽  
Explosive Boiling ◽  
Hydrophobic Coating

The influence of different wettability on explosive boiling exhibits a significant distinction, where the hydrophobic surface is beneficial for bubble nucleation and the hydrophilic surface enhances the critical heat flux. Therefore, to receive a more suitable surface for the explosive boiling, in this paper a hybrid hydrophobic–hydrophilic nanostructured surface was built by the method of molecular dynamics simulation. The onset temperatures of explosive boiling with various coating thickness, pillar width, and film thicknesses were investigated. The simulation results show that the hybrid nanostructure can decrease the onset temperature compared to the pure hydrophilic surface. It is attributed to the effect of hydrophobic coating, which promotes the formation of bubbles and causes a quicker liquid film break. Furthermore, with the increase of the hydrophobic coating thickness, the onset temperature of explosive boiling decreases. This is because the process of heat transfer between the liquid film and the hybrid nanostructured surface is inevitably enhanced. In addition, the onset temperature of explosive boiling on the hybrid wetting surface decreases with the increase of pillar width and liquid film thickness.

The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

2014 ◽  
Vol 513-517 ◽  
pp. 113-116
Author(s):  
Jen Ching Huang ◽  
Fu Jen Cheng ◽  
Chun Song Yang
Keyword(s):  
Thin Film ◽  
Thin Films ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Strain Rate ◽  
Young’S Modulus ◽  
Potential Function ◽  
Dynamics Simulation ◽  
System Temperature ◽  
Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

Magnetized property effect of a non-aqueous solvent upon complex formation between kryptofix 22DD with lanthanum(iii) cation: experimental aspects and molecular dynamics simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (11) ◽  
pp. 9096-9105 ◽  
Author(s):  
Gholam Hossien Rounaghi ◽  
Mostafa Gholizadeh ◽  
Fatemeh Moosavi ◽  
Iman Razavipanah ◽  
Hossein Azizi-Toupkanloo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Correlation Function ◽  
Molecular Dynamics Simulation ◽  
Pair Correlation ◽  
Molar Conductance ◽  
Methanol Solution ◽  
Dynamics Simulation ◽  
Aqueous Solvent ◽  
Different Temperatures ◽  
Kryptofix 22Dd

The variation of molar conductance versus mole ratio for (kryptofix 22DD·La)3+ complex in methanol solution at different temperatures is in accordance with the variation of pair correlation function of oxygen atoms.

Self-diffusion of lignite/water under different temperatures and pressure: A molecular dynamics study

2016 ◽  
Vol 30 (01) ◽  
pp. 1550253 ◽  
Author(s):  
Xinjian Liu ◽  
Yu Jin ◽  
Congliang Huang ◽  
Jingfeng He ◽  
Zhonghao Rao ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Water System ◽  
Simulation Method ◽  
The Self ◽  
Dynamics Simulation ◽  
Low Rank ◽  
Self Diffusion ◽  
Change Mechanism ◽  
Different Temperatures ◽  
Temperature And Pressure

Temperature and pressure have direct and remarkable implications for drying and dewatering effect of low rank coals such as lignite. To understand the microenergy change mechanism of lignite, the molecular dynamics simulation method was performed to study the self-diffusion of lignite/water under different temperatures and pressure. The results showed that high temperature and high pressure can promote the diffusion of lignite/water system, which facilitates the drying and dewatering of lignite. The volume and density of lignite/water system will increase and decrease with temperature increasing, respectively. Though the pressure within simulation range can make lignite density increase, the increasing pressure showed a weak impact on variation of density.

Sign in / Sign up

Export Citation Format

Share Document