Modern Status Of Researches Of Nanofluids Viscosity

2015 ◽  
Vol 10 (1) ◽  
pp. 5-22
Author(s):  
Valeriy Rudyak

In present paper the regular review of researches of nanofluids viscosity is made. Known experimental data and data of molecular dynamic simulation are considered. It is shown, that nanofluid viscosity is not described by the classical theories. All experimental data and molecular dynamics simulations suggest that at a fixed volume concentration of nanoparticles, the nanofluid viscosity is significantly higher than the viscosity of conventional suspensions. Generally it depends not only on concentration наночастиц, but also from their size. The viscosity coefficients increase with decreasing nanoparticle size. It was shown by molecular dynamics method that the viscosity coefficient of nanofluid depends on the nanoparticles material. At low and moderate concentrations of nanoparticles, the relative viscosity coefficient does not change with increasing temperature. In this case the temperature dependence of nanofluid viscosity is determined by the corresponding dependence of based fluid. The nanofluid prepared on distilled water with CuO nanoparticles has the nonNewtonian rheology if the concentration of the particles is more than 0.25 in the volume. It was established that their rheology is well described by the power law fluid model. With an increase in concentration of nanoparticles, nanofluid index decreases, but the consistency parameter K, on the contrary, increases. The correlation defining dependence of the viscosity coefficient on nanoparticles concentration and their size is offered. The reasons of nonclassical behavior of nanofluids are in detail discussed.

Author(s):  
Maryam Reisjalali ◽  
J. Javier Burgos-Marmol ◽  
Rex Manurung ◽  
Alessandro Troisi

The microscopic structure of high mobility semiconducting polymers is known to be essential for their performance but it cannot be easily deduced from the available experimental data. A series of...


2016 ◽  
Vol 18 (37) ◽  
pp. 25806-25816 ◽  
Author(s):  
Carlos Navarro-Retamal ◽  
Anne Bremer ◽  
Jans Alzate-Morales ◽  
Julio Caballero ◽  
Dirk K. Hincha ◽  
...  

Unfolding of intrinsically unstructured full-length LEA proteins in a differentially crowded environment can be modeled by 30 ns MD simulations in accordance with experimental data.


1992 ◽  
Vol 291 ◽  
Author(s):  
C. Z. Wang ◽  
K. M. Ho ◽  
C. T. Chan

ABSTRACTTight-binding molecular-dynamics simulations are performed to study the structure of liquid and amorphous carbon. Comparisons of our results with ab initiomolecular dynamics (Car-Parrinello) results and experimental data show that the scheme has sufficient accuracy and efficiency for realistic simulation study of the structural properties of complex carbon systems.


Author(s):  
Zuyuan Wang ◽  
Xiulin Ruan

The Green-Kubo method in the framework of equilibrium molecular dynamics (EMD) simulations is an effective method that has been widely used to calculate thermal conductivities of materials. The previous studies focused on the thermal conductivity values or the average values from repetitive simulations. Little research has been done to investigate the uncertainties of the thermal conductivities from EMD simulations. In this paper, we use solid argon as the material system to study the factors influencing the uncertainties of the predicted thermal conductivities. We find that the uncertainties decrease with the total simulation time as (ttotal)−α and increase with correlation time as (tcorre)β, where 0.48 < α, β < 0.52. We also find that the uncertainties decrease with increasing temperature, but the simulation domain size has a negligible effect. We propose some guidelines for selecting appropriate simulation parameters (e.g., the correlation time and total simulation time) to achieve a desired level of uncertainty. This work is potentially useful for future studies on calculating the thermal conductivities of materials using EMD simulations.


Author(s):  
Lawrence M. Jones ◽  
Timothy Sirk ◽  
Eugene Brown

The study of the heat transfer characteristics of nanofluids, i.e. fluids that are suspensions of nanometer size particles, has gained significant attention in the search for new coolants that can effectively service a variety of needs ranging from the increasing heat transfer demands of ever smaller microelectronic devices to mitigating the effects of loss of coolant accidents in nuclear power plants. Experimental data has shown large increases in thermal conductivity and associated increases in the level of critical heat flux in nuclear reactors; however, in some cases the range of the applicability of the experimental results is uncertain and there is a lack of a theory by which this can be resolved. Complicating the theoretical description of heat transfer in nanofluids is the fact that fluids in the vicinity of the nanoparticles are a complex combination of phase transition, interfacial, and transport phenomena. This paper describes a study in which molecular dynamics simulations were used to enhance the understanding of the effect of nanoparticles on heat transfer. The molecular dynamics (MD) simulations presented here model a Lennard-Jones fluid in a channel where the walls are maintained at different temperatures. The heat flux is calculated for a variety of nanoparticle sizes and concentrations. The results are compared to experimental data in order to provide information that will more confidently bound the data and provide information that will guide the development of more comprehensive theories. We also anticipate that this work could contribute to the design of biosensors where suspended molecules are transported through micro- and nano-channels in the presence of heat transfer.


2021 ◽  
Author(s):  
Jan Philipp Bittner ◽  
Ningning Zhang ◽  
Lei Huang ◽  
Pablo Dominguez de Maria ◽  
Sven Jakobtorweihen ◽  
...  

For a knowledge-based design of enzyme catalysis in deep eutectic solvents (DESs), the influence of the DESs properties (e.g., water activity, viscosity), and the impact of DESs and their individual...


2021 ◽  
Vol 8 ◽  
Author(s):  
Cristina Paissoni ◽  
Carlo Camilloni

The reliability and usefulness of molecular dynamics simulations of equilibrium processes rests on their statistical precision and their capability to generate conformational ensembles in agreement with available experimental knowledge. Metadynamics Metainference (M&amp;M), coupling molecular dynamics with the enhanced sampling ability of Metadynamics and with the ability to integrate experimental information of Metainference, can in principle achieve both goals. Here we show that three different Metadynamics setups provide converged estimate of the populations of the three-states populated by a model peptide. Errors are estimated correctly by block averaging, but higher precision is obtained by performing independent replicates. One effect of Metadynamics is that of dramatically decreasing the number of effective frames resulting from the simulations and this is relevant for M&amp;M where the number of replicas should be large enough to capture the conformational heterogeneity behind the experimental data. Our simulations allow also us to propose that monitoring the relative error associated with conformational averaging can help to determine the minimum number of replicas to be simulated in the context of M&amp;M simulations. Altogether our data provides useful indication on how to generate sound conformational ensemble in agreement with experimental data.


2015 ◽  
Vol 60 (3) ◽  
Author(s):  
Pinzhi Liu ◽  
Hualong Yu ◽  
Ning Ren ◽  
Frances E. Lockwood ◽  
Q. Jane Wang

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