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1.
Proc Natl Acad Sci U S A ; 117(31): 18278-18284, 2020 Aug 04.
Artigo em Inglês | MEDLINE | ID: mdl-32690702

RESUMO

Long-running gravity currents are flows that are submerged beneath a deep layer of quiescent fluid and they travel over long distances along inclined or horizontal surfaces. They are driven by the density difference between the current and the clear ambient fluid above. In this work we present results on highly resolved direct numerical simulations of turbid underflows that involve nearly 1 billion degrees of freedom. We assess the effect of bed slope on the flow statistics. We explore the turbulence dynamics of the interface in the classical sub- and supercritical regimes. We investigate the structure of interfacial turbulence and its relation to the turbulence statistic. A transcritical regime is identified where intermittent cascading interfacial instabilities appear. We investigate how departure from the self-sustaining equilibrium state may be the mechanism responsible for this cyclic evolution of the transcritical regime.

2.
Indian J Occup Environ Med ; 27(3): 271-273, 2023.
Artigo em Inglês | MEDLINE | ID: mdl-38047178

RESUMO

According to the American Industrial Hygiene Association (AIHA), tests of functional capacity evaluation (FCE) have an insignificant relationship with the actual tasks performed and the on-job assessment is required. Commuting accidents have been an increasing trend. A 34-year-old gentleman was referred following severe traumatic brain injury with cerebral edema and multiple fractures. He was evaluated with the Chessington Occupational Therapy Neurological Assessment Battery (COTNAB) where his visual perception performance has improved. The performance of visual and spoken instructions is within normal limits. He has improved on the upper extremity functional scale measure activities with an affected limb from 60 to 68 and also improved on the lower extremity functional scale from 43 to 51. He managed to cover a distance of 2 km in 42 minutes after a short break and accomplished to climb 200 steps after a mini-break through maximum capacity evaluation. The patient is fit as a clerk after going through various sessions to improve the cognition and function of extremities. FCE is precisely measured behavioral tests and should be inferred from the patient's personal and environmental setting.

3.
Sci Rep ; 13(1): 1760, 2023 Jan 31.
Artigo em Inglês | MEDLINE | ID: mdl-36720997

RESUMO

Cohesive sediment forms flocs of various sizes and structures in the natural turbulent environment. Understanding flocculation is critical in accurately predicting sediment transport and biogeochemical cycles. In addition to aggregation and breakup, turbulence also reshapes flocs toward more stable structures. An Eulerian-Lagrangian framework has been implemented to investigate the effect of turbulence on flocculation by capturing the time-evolution of individual flocs. We have identified two floc reshaping mechanisms, namely breakage-regrowth and restructuring by hydrodynamic drag. Surface erosion is found to be the primary breakup mechanism for strong flocs, while fragile flocs tend to split into fragments of similar sizes. Aggregation of flocs of sizes comparable to or greater than the Kolmogorov scale is modulated by turbulence with lower aggregation efficiency. Our findings highlight the limiting effects of turbulence on both floc size and structure.

4.
Indian J Occup Environ Med ; 26(3): 201-203, 2022.
Artigo em Inglês | MEDLINE | ID: mdl-36408431

RESUMO

The diagnosis of occupational noise-induced hearing loss is rarely made in a video editor, although there is a high prevalence of hearing loss. A 37-year-old woman experienced gradual hearing loss associated with tinnitus for the past 3 years. Audiometry showed mild-to-severe sensorineural hearing loss in the right ear and mild-to-moderate sensorineural hearing loss in the left ear. There is a dip at 2 kHz, which is more pronounced in the right ear with recovery at 8 kHz. The portable listening devices risk causing hearing loss from high-output noise damaging the cochlear structures. The amplitudes on otoacoustic emission levels are decreased by using these devices, especially among long-time users. Incessant tinnitus may cause adverse effects on the quality of life. Sound therapy devices such as digital signal processing devices through hearing aids may assist this group of patients by distracting their attention from tinnitus.

5.
Phys Rev Lett ; 106(8): 084501, 2011 Feb 25.
Artigo em Inglês | MEDLINE | ID: mdl-21405576

RESUMO

Viscous compressible flow around a sphere is considered in the limit of zero Reynolds and Mach numbers. An exact expression for the force on the sphere undergoing arbitrary motion with compressibility effects is presented. Quasisteady, inviscid-unsteady, and viscous-unsteady force components are identified. Numerical results are in excellent agreement with the theory. The present formulation offers an explicit expression for the unsteady force in the time domain and can be considered as a generalization of the Basset-Boussinesq-Oseen equation to compressible flow.

6.
Eur J Clin Microbiol Infect Dis ; 30(4): 483-98, 2011 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-21140187

RESUMO

Cerebral malaria (CM) is a global life-threatening complication of Plasmodium infection and represents a major cause of morbidity and mortality among severe forms of malaria. Despite developing knowledge in understanding mechanisms of pathogenesis, the current anti-malarial agents are not sufficient due to drug resistance and various adverse effects. Therefore, there is an urgent need for the novel target and additional therapy. Recently, peroxisome proliferator-activated receptor (PPAR) a nuclear receptors (NR) and agonists of its isoforms (PPARγ, PPARα and PPARß/δ) have been demonstrated to exhibit anti-inflammatory and immunomodulatory properties, which are driven to a new approach of research on inflammatory diseases. Although many studies on PPARs have confirmed their diverse biological role, there is a lack of knowledge of its therapeutic use in CM. The major objective of this review is to explore the possible experimental studies to link these two areas of research. We focus on the data describing the beneficial effects of this receptor in inflammation, which is observed as a basic pathology in CM. In conclusion, PPARs could be a novel target in treating inflammatory diseases, and continued work with the available and additional agonists screened from various sources may result in a potential new treatment for CM.


Assuntos
Anti-Inflamatórios/uso terapêutico , Malária Cerebral/tratamento farmacológico , Receptores Ativados por Proliferador de Peroxissomo/metabolismo , Plasmodium falciparum/efeitos dos fármacos , Animais , Citocinas/metabolismo , Humanos , Inflamação/tratamento farmacológico , Inflamação/imunologia , Inflamação/fisiopatologia , Malária Cerebral/imunologia , Malária Cerebral/parasitologia , Malária Cerebral/fisiopatologia , Camundongos , Plasmodium falciparum/patogenicidade
7.
Phys Fluids (1994) ; 33(6): 063318, 2021 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-34335006

RESUMO

Using a set of large eddy point-particle simulations, we explore the fluid dynamics of an ejected puff resulting from a cough/sneeze. The ejection contains over 61 000 potentially virus-laden droplets at an injection Reynolds number of about 46 000, comparable to an actual cough/sneeze. We observe that global puff properties, such as centroid, puff volume, momentum, and buoyancy vary little across realizations. Other properties, such as maximum extent, shape, and edge velocity of the puff, may exhibit substantial variation. In many realizations, a portion of the puff splits off and advances along a random direction, while keeping airborne droplet nuclei afloat. This peeled-off portion provides a mechanism for virus-laden droplets to travel over large distances in a short amount of time. We also observe that the vast majority of droplets remain suspended within the puff after all liquid has evaporated. The main objectives of the study are to (i) evaluate assumptions of Balachandar's et al. theory [Int. J. Multiphase Flow 132, 103439 (2020)], which include buoyancy effects, shape of the puff, and droplet evaporation rate, (ii) obtain values of closure parameters, which include location and time of the virtual origin, and puff entrainment and drag coefficients, and (iii) evaluate the accuracy of the theory in predicting the shape, size, and location of the puff, as well as droplet number density long after ejection. The theory adequately predicts global puff properties including size, velocity, and distance traveled, the largest size of droplets that exit the puff due to settling, and the droplet size distribution within the puff long after ejection.

8.
Sci Rep ; 11(1): 9826, 2021 05 10.
Artigo em Inglês | MEDLINE | ID: mdl-33972590

RESUMO

High-fidelity simulations of coughs and sneezes that serve as virtual experiments are presented, and they offer an unprecedented opportunity to peer into the chaotic evolution of the resulting airborne droplet clouds. While larger droplets quickly fall-out of the cloud, smaller droplets evaporate rapidly. The non-volatiles remain airborne as droplet nuclei for a long time to be transported over long distances. The substantial variation observed between the different realizations has important social distancing implications, since probabilistic outlier-events do occur and may need to be taken into account when assessing the risk of contagion. Contrary to common expectations, we observe dry ambient conditions to increase by more than four times the number of airborne potentially virus-laden nuclei, as a result of reduced droplet fall-out through rapid evaporation. The simulation results are used to validate and calibrate a comprehensive multiphase theory, which is then used to predict the spread of airborne nuclei under a wide variety of ambient conditions.


Assuntos
COVID-19/transmissão , Tosse/virologia , Modelos Biológicos , SARS-CoV-2/patogenicidade , Espirro , Microbiologia do Ar , COVID-19/virologia , Simulação por Computador , Humanos , Umidade
9.
Nat Commun ; 12(1): 1649, 2021 03 12.
Artigo em Inglês | MEDLINE | ID: mdl-33712629

RESUMO

Turbidity currents are sediment-laden flows that travel over a sloping bed under a stagnant ambient fluid, driven by the density difference between the current and the ambient. Turbidity currents transport large amounts of carbon, nutrients and fresh water through oceans and play an important role in global geochemical cycling and seafloor ecosystems. Supercritical currents are observed in steeper slopes. Subcritical currents are observed in milder slopes, where the near-bed and interface layers are prevented from interacting across the velocity maximum. Past works show the existence of such a barrier to vertical momentum transfer is essential for the body of the subcritical current to extend over hundreds of kilometers in length without much increase in height. Here we observe the body of subcritical currents to have a three layer structure, where the turbulent near-bed layer and the non-turbulent interface layer are separated by an intermediate layer of negative turbulence production. We explain the mechanism by which this layer prevents the near-bed turbulent structures from penetrating into the interface layer by transferring energy back from turbulence to the mean flow.

10.
Science ; 259(5099): 1308-11, 1993 Feb 26.
Artigo em Inglês | MEDLINE | ID: mdl-17732253

RESUMO

The effects of multiple phase transitions on mantle convection are investigated by numerical simulations that are based on three-dimensional models. These simulations show that cold sheets of mantle material collide at junctions, merge, and form a strong downflow that is stopped temporarily by the transition zone. The accumulated cold material gives rise to a strong gravitational instability that causes the cold mass to sink rapidly into the lower mantle. This process promotes a massive exchange between the lower and upper mantles and triggers a global instability in the adjacent plume system. This mechanism may be cyclic in nature and may be linked to the generation of superplumes.

11.
Science ; 267(5201): 1150-3, 1995 Feb 24.
Artigo em Inglês | MEDLINE | ID: mdl-17789197

RESUMO

Numerical simulations of three-dimensional convection with temperature-dependent viscosity and viscous heating at realistic Rayleigh numbers for Earth's mantle reveal that, in the strongly time-dependent regime, very intense localized heating takes place along the top portion of descending cold sheets and also at locations where the ascending plume heads impinge at the surface. For a viscosity contrast of 100, these localized heat sources exceed the internal heating due to the radioactive decay of chondritic materials by more than an order of magnitude. The horizontally averaged viscous dissipation is concentrated in the top of the convecting layer and has a magnitude comparable with that of radioactive heating.

12.
Phys Rev E Stat Nonlin Soft Matter Phys ; 79(5 Pt 2): 056703, 2009 May.
Artigo em Inglês | MEDLINE | ID: mdl-19518589

RESUMO

A two-fluid approach is proposed for direct numerical simulation of particle-laden turbulent flows in two-way coupling where the particle Stokes number is small. An Eulerian velocity field is calculated for the particle phase through a truncated series expansion in terms of the velocity and acceleration of the fluid phase [M. R. Maxey, J. Fluid Mech. 174, 441 (1987)]. This expansion is valid for particles with a sufficiently small Stokes number defined as the ratio of particle time constant to the Kolmogorov time scale. The transport equation of the Eulerian concentration field of particles (particle volume fraction) is solved along with the fluid-phase equations for which the effect of the particles on the fluid phase is taken into account through source terms in the momentum equations. For the assessment purposes, particle-laden decaying isotropic turbulence is studied. The results obtained through the proposed two-fluid approach are compared against those obtained by the trajectory approach in which the particle equations are solved in the Lagrangian framework. It is shown that there is a good agreement between various fluid-phase statistics obtained by these approaches for different small Stokes numbers and mean particle concentrations.

13.
J Photochem Photobiol B ; 196: 111497, 2019 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-31154276

RESUMO

Systematic identification and quantification of active radical sites in a small molecule, pyrazolium 3,5-dinitrobenzoate:3,5-dinitrobenzoic acid as well as in the stable free radical (DPPH•) were carried out by Fukui functions calculation using DFT functional with B3LYP/6-311++G(d,p) level of basis set. Bioactive Lewis acid-base compound, pyrazolium 3,5-dinitrobenzoate:3,5-dinitrobenzoic acid (PDNB:DNBA) has been synthesized and crystallized by slow evaporation - solution method at 30 °C. Various functional groups and the structural arrangements were ascertained from spectral and XRD analyses, respectively. UV-vis spectral analysis was used to find out the stability of the anticipated drug for about 60 min using methanol as a solvent. Stabilization of the compound was linked to the presence of enormous N-H…O, O-H…O and C-H…O hydrogen bonding interactions identified through Hirshfeld surface analysis. Chemical stability and reactivity of the drug were validated from theoretical optimization and HOMO-LUMO analysis. Active nucleophilic, electrophilic and radical sites of PDNB:DNBA were also identified from molecular electrostatic potential analysis. Inhibition of growth of pathogens in screening experiments by the proposed drug attests its suitability in biological applications. Antioxidant activity of the compound, PDNB:DNBA, endorses its aptness for scavenging reactive radicals. Fluorimetry experiments confirm hyperchromism in DNA binding analysis proving groove mode of binding. Molecular docking explored the various modes of intermolecular interactions of the drug with microbes as well as DNA.


Assuntos
DNA/química , Nitrobenzoatos/química , Pirazóis/química , Animais , Antioxidantes/química , Aspergillus niger/efeitos dos fármacos , Sítios de Ligação , Bovinos , DNA/metabolismo , Conformação Molecular , Simulação de Acoplamento Molecular , Nitrobenzoatos/metabolismo , Nitrobenzoatos/farmacologia , Conformação de Ácido Nucleico , Teoria Quântica , Eletricidade Estática
14.
Toxicol Res (Camb) ; 8(3): 421-431, 2019 May 01.
Artigo em Inglês | MEDLINE | ID: mdl-31160975

RESUMO

A small organic molecule, bis(pyrazolium p-toluenesulphonate) (BPPTS), was crystallized, characterized and used to scavenge free radicals in biological systems. SXRD and spectroscopic analyses were used to confirm the structure of BPPTS. Methanolic and ethanolic solutions of BPPTS were used to assess the stability of the proposed drug using the UV-vis spectrophotometric technique. Optimization of the molecular structure was carried out by DFT with B3LYP/6-311++G(d,p) level of basis set. MEP and Fukui functions that elaborate theoretically the predominant electrophilic, nucleophilic and radical sites in BPPTS were correlated with experimental biological screening. BPPTS exhibits strong activity against Bacillus subtilis and Escherichia coli, comparable with all other analyzed pathogens. The free radical scavenging activity of BPPTS was assessed by both experimental studies and theoretical calculations. The binding sites of DPPH, which can bind to BPPTS, were also predicted by Fukui functions. DNA binding of BPPTS in UV-vis studies revealed the groove mode of binding due to the occurrence of hyperchromism. The phenomenon of hyperchromism was established by the Hirshfeld surface analysis of BPPTS, which confirmed the presence of π···π interactions (2.4%). Molecular docking established a positive correlation between experimental bio-screening reports and simulated data. ADMET properties were also calculated.

15.
J Photochem Photobiol B ; 163: 352-65, 2016 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-27614246

RESUMO

Biologically active Lewis acid-base compound, pyrazolium 3-nitro phthalate (P3NP) has been synthesized and crystallized by slow evaporation - solution method at 30°C. Spectral and single crystal X-Ray diffraction (XRD) were used to characterize the compound. The stability of the P3NP was confirmed by UV-Visible spectral analysis. P3NP crystallizes in monoclinic P21/C space group with cell parameters, a=13.009 (3) Å, b=12.584 (3) Å, c=7.529 (18) Å and ß=93.052 (4)(o) with Z=4. Crystal packing was stabilized by N(+)H⋯O(-), OH⋯O and CH⋯O intermolecular hydrogen bonds. The nature of anion - cation interactions and crystal packing from various types of intermolecular contacts and their importance were explored using the Hirshfeld surface analysis. The structure was optimized by Density Functional Theory at B3LYP level with 6-311++G(d,p) basis set and the vibrational frequencies were theoretically calculated. Band gap between Highest Occupied Molecular Orbital (HOMO) and Lowest Unoccupied Molecular Orbital (LUMO) and Electrostatic potential (ESP) were calculated. Antimicrobial activities of P3NP with targets were clinically tested and were found to exhibit antibacterial activity against gram positive and antifungal activity against pathogens with Minimum Inhibitory Concentration (MIC). Ligand based pharmacophore modelling was used to understand the potential of P3NP ligand to bind with selected target proteins. iGEM Dock was used to predict the modes of interactions of the ligand with target proteins of the microbes predicted from pharmacophore. PreADMET predicts no absorption of ligand in Human Intestinal Absorption (HIA).


Assuntos
Anti-Infecciosos/farmacologia , Aspergillus fumigatus/efeitos dos fármacos , Aspergillus niger/efeitos dos fármacos , Bacillus subtilis/efeitos dos fármacos , Modelos Moleculares , Ácidos Ftálicos/farmacologia , Pirazóis/farmacologia , Absorção Fisico-Química , Animais , Anti-Infecciosos/metabolismo , Anti-Infecciosos/farmacocinética , Anti-Infecciosos/toxicidade , Cães , Humanos , Ligação de Hidrogênio , Ligantes , Células Madin Darby de Rim Canino , Conformação Molecular , Ácidos Ftálicos/metabolismo , Ácidos Ftálicos/farmacocinética , Ácidos Ftálicos/toxicidade , Pirazóis/metabolismo , Pirazóis/farmacocinética , Pirazóis/toxicidade , Teoria Quântica , Eletricidade Estática
16.
Artigo em Inglês | MEDLINE | ID: mdl-25353881

RESUMO

An analytical expression to evaluate the second-order mean force (acoustic radiation force) on a finite-sized, rigid, spherical particle due to an acoustic wave is presented. The medium in which the particle is situated is taken to be both viscous and compressible. A far-field derivation approach has been used in determining the force, which is a function of the particle size, acoustic wavelength, and viscous boundary-layer thickness. It is assumed that the viscous length scale is negligibly small compared to the acoustic wavelength. The force expression presented here (i) reduces to the correct inviscid behavior (for both small- and finite-sized particles) and (ii) is identical to recent viscous results [M. Settnes and H. Bruus, Phys. Rev. E 85, 016327 (2012)] for small-sized particles. Further, the computed force qualitatively matches the computational fluid dynamics (finite-element) results [D. Foresti, M. Nabavi, and D. Poulikakos, J. Fluid Mech. 709, 581 (2012)] for finite-sized particles. Additionally, the mean force is interpreted in terms of a multipole expansion. Subsequently, considering the fact that the force expansion is an infinite series, the number of terms that are required or adequate to capture the force to a specified accuracy is also provided as a function of the particle size to acoustic wavelength ratio. The dependence of the force on particle density, kinematic viscosity, and bulk viscosity of the fluid is also investigated. Here, both traveling and standing waves are considered.

17.
J Occup Health ; 56(1): 1-11, 2014.
Artigo em Inglês | MEDLINE | ID: mdl-24270928

RESUMO

OBJECTIVES: A systematic review was conducted to identify the effectiveness of different permissible exposure limits in preserving the hearing threshold level. This review compared the limits of the US National Institute of Occupational Safety and Health with those of the US Occupational Safety and Health Administration. The prevalence of occupational noise-induced hearing loss is on an increasing trend globally. This review was performed to reduce the prevalence of noise-induced hearing loss. METHODS: We searched 3 major databases, i.e., PubMed, Embase and Lippincott Williams & Wilkins Journals@Ovid, for studies published up until 1May 2013 without language restrictions. All study designs were included in this review. The studies were identified and retrieved by two independent authors. RESULTS: Of 118 titles scanned, 14 duplicates were removed, and a total of 13 abstracts from all three databases were identified for full-text retrieval. From the full text, eight articles met the inclusion criteria for this systematic review. These articles showed acceptable quality based on our scoring system. Most of the studies indicated that temporary threshold shifts were much lower when subjects were exposed to a noise level of 85 dBA or lower. CONCLUSIONS: There were more threshold shifts in subjects adopting 90 dBA compared with 85 dBA. These temporary threshold shifts may progress to permanent shifts over time. Action curtailing noise exposure among employees would be taken earlier on adoption of 85 dBA as the permissible exposure limit, and hence prevalence of noise-induced hearing loss may be reduced.


Assuntos
Perda Auditiva Provocada por Ruído/prevenção & controle , National Institute for Occupational Safety and Health, U.S./normas , Ruído Ocupacional/efeitos adversos , United States Occupational Safety and Health Administration/normas , Limiar Auditivo/fisiologia , Bases de Dados Bibliográficas , Saúde Global/estatística & dados numéricos , Perda Auditiva Provocada por Ruído/epidemiologia , Humanos , Ruído Ocupacional/prevenção & controle , Doenças Profissionais/epidemiologia , Doenças Profissionais/etiologia , Doenças Profissionais/prevenção & controle , Prevalência , Níveis Máximos Permitidos , Estados Unidos/epidemiologia
18.
Iran Red Crescent Med J ; 16(10): e15520, 2014 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-25763196

RESUMO

BACKGROUND: Development of noise-induced hearing loss is reliant on a few factors such as frequency, intensity, and duration of noise exposure. The occurrence of this occupational malady has doubled from 120 million to 250 million in a decade. Countries such as Malaysia, India, and the US have adopted 90 dBA as the permissible exposure limit. According to the US Occupational Safety and Health Administration (OSHA), the exposure limit for noise is 90 dBA, while that of the US National Institute of Occupational Safety and Health (NIOSH) is 85 dBA for 8 hours of noise exposure. OBJECTIVES: This study aimed to assess the development of hearing threshold levels beyond 25 dBA on adoption of 85 dBA as the permissible exposure limit compared to 90 dBA. PATIENTS AND METHODS: This is an intervention study done on two automobile factories. There were 203 employees exposed to noise levels beyond the action level. Hearing protection devices were distributed to reduce noise levels to a level between the permissible exposure limit and action level. The permissible exposure limits were 90 and 85 dBA in factories 1 and 2, respectively, while the action levels were 85 and 80 dBA, respectively. The hearing threshold levels of participants were measured at baseline and at first month of postshift exposure of noise. The outcome was measured by a manual audiometer. McNemar and chi-square tests were used in the statistical analysis. RESULTS: We found that hearing threshold levels of more than 25 dBA has changed significantly from pre-intervention to post-intervention among participants from both factories (3000 Hz for the right ear and 2000 Hz for the left ear). There was a statistically significant association between participants at 3000 Hz on the right ear at 'deteriorated' level ( χ² (1) = 4.08, φ = - 0.142, P = 0.043), whereas there was worsening of hearing threshold beyond 25 dBA among those embraced 90 dBA. CONCLUSIONS: The adoption of 85 dBA as the permissible exposure limit has preserved hearing threshold level among participants at 3000 Hz compared to those who embraced 90 dBA.

19.
Phys Rev Lett ; 75(7): 1300-1303, 1995 Aug 14.
Artigo em Inglês | MEDLINE | ID: mdl-10060258
20.
J Colloid Interface Sci ; 339(1): 187-95, 2009 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-19691965

RESUMO

The present study investigates the variation of static contact angle of a water droplet in equilibrium with a solid surface in the absence of a body force and the dynamic contact angles of water droplet moving on a solid surface for different characteristic energies using the molecular dynamics simulation. With increasing characteristic energy, the static contact angle in equilibrium with a solid surface in the absence of a body force decreases because the hydrophobic surface changes its characteristics to the hydrophilic surface. In order to consider the effect of moving water droplet on the dynamic contact angles, we apply the constant acceleration to an individual oxygen and hydrogen atom. In the presence of a body force, the water droplet changes its shape with larger advancing contact angle than the receding angle. The dynamic contact angles are compared with the static contact angle in order to see the effect of the presence of a body force.


Assuntos
Água/química , Fenômenos Químicos , Simulação por Computador , Propriedades de Superfície
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