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Materials
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Multiphysics and Multiscale Modelling of Fluid Materials
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Multiphysics and Multiscale Modelling of Fluid Materials

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Materials Physics".

Deadline for manuscript submissions: closed (20 October 2022) | Viewed by 4309

Special Issue Editor

Dr. Wenjing Zhou

E-Mail Website
Guest Editor
School of Chemical Engineering and Technology, Xi’an Jiaotong University, Xi’an 710049, China
Interests: multiscale simulation; micro- and nano-scale fluid flow and heat transfer; drag reduction; energy storage; phase change heat transfer; molecular dynamics; computational fluid dynamics

Special Issue Information

Dear Colleagues,

In the last several decades, the rapid development of computational science has accelerated the modelling and simulation of fluid materials which find their applications in various fields, such as MEMS/NEMS systems, power machinery, energy storage, biomedical engineering, etc. This Special Issue welcomes manuscripts dealing with multiphysics and multiscale modelling and simulation of fluid materials. In this sense, we welcome contributions related to the numerical simulation of fluid materials at different scales, especially the simulation of heat and mass transfer. Numerical methods include, but are not limited to, molecular dynamics (MD), dissipative particle dynamics (DPD), direct simulation Monte Carlo (DSMC) method, lattice Boltzmann method (LBM), finite volume method (FVM), finite element method (FEM), as well as hybrid approaches coupling two or more different methods.

Dr. Wenjing Zhou
Guest Editor

Manuscript Submission Information

Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.

Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Materials is an international peer-reviewed open access semimonthly journal published by MDPI.

Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2600 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • multiphysics
  • multiscale modelling
  • fluid materials
  • hybrid approach
  • heat and mass transfer

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Published Papers (2 papers)

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Research

18 pages, 6091 KiB  
Article
Effect of the Addition of Graphene Nanoplatelets on the Thermal Conductivity of Rocket Kerosene: A Molecular Dynamics Study
by Xiaodie Guo, Xuejiao Chen, Jinpeng Zhao, Wenjing Zhou and Jinjia Wei
Materials 2022, 15(16), 5511; https://doi.org/10.3390/ma15165511 - 11 Aug 2022
Cited by 2 | Viewed by 1701
Abstract
Rocket kerosene plays an important role in the regenerative cooling process of rocket thrust chambers. Its thermal conductivity determines the cooling efficiency and the tendency to coke in rocket kerosene engines. In this paper, graphene nanoplatelets (GNPs) were introduced into rocket kerosene to [...] Read more.
Rocket kerosene plays an important role in the regenerative cooling process of rocket thrust chambers. Its thermal conductivity determines the cooling efficiency and the tendency to coke in rocket kerosene engines. In this paper, graphene nanoplatelets (GNPs) were introduced into rocket kerosene to improve its thermal conductivity. Molecular dynamics simulation was used to investigate the thermal conductivity of the composite system and its underlying thermal conductivity mechanism. Firstly, by studying the effect of the mass fraction of GNPs, it was found that, when the graphene mass fraction increases from 1.14% to 6.49%, the thermal conductivity of the composite system increases from 4.26% to 17.83%, which can be explained by the percolation theory. Secondly, the influence of the size of GNPs on the thermal conductivity of the composite system was studied. Basically, the thermal conductivity was found to increase by increasing the aspect ratio of GNPs, indicating that GNPs with a higher aspect ratio are more conducive to improving the thermal conductivity of rocket kerosene. By carefully analyzing the effect of the size of GNPs on thermal conductivity, it was concluded that the thermal conduction enhancement by adding GNPs is determined by the combined effect of the percolation theory and the Brownian motion. The results of the temperature effect study showed that the ratio of thermal conductivity to rocket kerosene increased from 1.16 to 1.26 and from 1.07 to 1.11 for the composite systems, with graphene sizes of 41.18 Å × 64.00 Å and 24.14 Å × 17.22 Å in the temperature range of 293 K to 343 K, respectively. It is further proved that the Brownian motion of GNPs has a non-negligible effect on the thermal conductivity of the composite system. This work provides microscopic insights into the thermal conduction mechanism of GNPs in nanofluids and will offer practical guidance for improving the thermal conductivity of rocket kerosene. Full article
(This article belongs to the Special Issue Multiphysics and Multiscale Modelling of Fluid Materials)
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14 pages, 2982 KiB  
Article
Effect of Polymer Drag Reducer on Rheological Properties of Rocket Kerosene Solutions
by Xiaodie Guo, Xuejiao Chen, Wenjing Zhou and Jinjia Wei
Materials 2022, 15(9), 3343; https://doi.org/10.3390/ma15093343 - 6 May 2022
Cited by 7 | Viewed by 2164
Abstract
Adding drag reduction agent (DRA) to rocket kerosene is an effective way to reduce the pipeline resistance of rocket kerosene transportation systems. However, so far, there have been few research reports on the effect of DRA on the rheological properties of rocket kerosene [...] Read more.
Adding drag reduction agent (DRA) to rocket kerosene is an effective way to reduce the pipeline resistance of rocket kerosene transportation systems. However, so far, there have been few research reports on the effect of DRA on the rheological properties of rocket kerosene solution, especially from a microscopic perspective. In this study, coarse-grained molecular dynamics simulations were conducted to investigate the rheological properties of rocket kerosene solutions with DRAs of different chain lengths and concentrations. The results showed that the viscosity of DRA—kerosene solution is generally higher than that of pure kerosene at a low shear rate, while with an increase in shear rate, the viscosity of DRA—kerosene solution decreases rapidly and finally tends to become similar to that of pure kerosene. The shear viscosity of DRA—kerosene solution increases with an increase in chain length and concentration of polymers. Through observing the morphologic change of DRA molecules and analyzing the radius of gyration and the mean-squared end-to-end distance of polymers, it was confirmed that the rheological properties of DRA—kerosene solutions are strongly related to the degree of entanglement of polymer chains. The simulation results provide microscopic insights into the rheological behavior of DRA—kerosene solutions and clarify the intrinsic relation between the morphologic change of polymer molecules and the rheological properties of DRA—kerosene solutions. Full article
(This article belongs to the Special Issue Multiphysics and Multiscale Modelling of Fluid Materials)
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