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A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (31 December 2020) | Viewed by 11875

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Dr. Mohammad Yaghoub Abdollahzadeh Jamalabadi

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Guest Editor

Department of Mechanical, Robotics and Energy Engineering, Dongguk University, Seoul, Republic of Korea
Interests: fluid mechanics; computational fluid dynamics; engineering thermodynamics; numerical simulation; numerical modeling; CFD simulation numerical analysis; modeling and simulation; engineering; applied and computational mathematics; aerodynamics

Special Issue Information

Dear Colleagues,

The open access journal Molecules is publishing a Special Issue on “Computational Fluid Dynamics”. Computational fluid dynamics and its application in aero-/hydrodynamics, mechanical engineering, aerospace engineering, chemical engineering, and process engineering have been of interest in science and engineering over many decades. The proposed Special Issue will mainly focus on the numerical, experimental, or analytical study of fluid flows in various geometries, such as internal or boundary layer flows. Potential topics include:

Multiscale hybrid simulations of molecular dynamics (MD) and computational fluid dynamics (CFD) in multiphase flow problems;
Turbulent features of flow in simulating multiscale (micro- and nano-)fluidic systems;
Fluid–solid interactions;
Multiphysics phenomena;
Chemical reactive and diffusive flow;
Development of new methods to solve Navier–Stokes equations;
Phan–Thien and Tanner simulation of non-Newtonian fluids;
Direct numerical simulation of gas/liquid interfaces;
Simulation of individual and interacting molecules;
Bubble and drop mechanics.

Dr. Mohammad Yaghoub Abdollahzadeh Jamalabadi
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. Molecules 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 2700 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

computational fluid dynamics;
multiscale hybrid simulations;
high-performance computing;
molecular dynamics;
direct numerical simulation.

Published Papers (5 papers)

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Research

21 pages, 2536 KiB

Open AccessArticle

Computational Study of the Coupled Mechanism of Thermophoretic Transportation and Mixed Convection Flow around the Surface of a Sphere

by Amir Abbas, Muhammad Ashraf, Yu-Ming Chu, Saqib Zia, Ilyas Khan and Kottakkaran Sooppy Nisar

Molecules 2020, 25(11), 2694; https://doi.org/10.3390/molecules25112694 - 10 Jun 2020

Cited by 24 | Viewed by 2584

Abstract

The main goal of the current work was to study the coupled mechanism of thermophoretic transportation and mixed convection flow around the surface of the sphere. To analyze the characteristics of heat and fluid flow in the presence of thermophoretic transportation, a mathematical model in terms of non-linear coupled partial differential equations obeying the laws of conservation was formulated. Moreover, the mathematical model of the proposed phenomena was approximated by implementing the finite difference scheme and boundary value problem of fourth order code BVP4C built-in scheme. The novelty point of this paper is that the primitive variable formulation is introduced to transform the system of partial differential equations into a primitive form to make the line of the algorithm smooth. Secondly, the term thermophoretic transportation in the mass equation is introduced in the mass equation and thus the effect of thermophoretic transportation can be calculated at different positions of the sphere. Basically, in this study, some favorite positions around the sphere were located, where the velocity field, temperature distribution, mass concentration, skin friction, and rate of heat transfer can be calculated simultaneously without any separation in flow around the surface of the sphere. Full article

(This article belongs to the Special Issue Applications of Computational Fluid Dynamics)

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17 pages, 8062 KiB

Open AccessArticle

Thermal Transport Investigation in Magneto-Radiative GO-MoS₂/H₂O-C₂H₆O₂ Hybrid Nanofluid Subject to Cattaneo–Christov Model

by Syed Tauseef Mohyud-Din, Adnan, Umar Khan, Naveed Ahmed, Ilyas Khan, T. Abdeljawad and Kottakkaran Sooppy Nisar

Molecules 2020, 25(11), 2592; https://doi.org/10.3390/molecules25112592 - 02 Jun 2020

Cited by 25 | Viewed by 2267

Abstract

Currently, thermal investigation in hybrid colloidal liquids is noteworthy. It has applications in medical sciences, drug delivery, computer chips, electronics, the paint industry, mechanical engineering and to perceive the cancer cell in human body and many more. Therefore, the study is carried out for 3D magnetized hybrid nanofluid by plugging the novel Cattaneo–Christov model and thermal radiations. The dimensionless version of the model is successfully handled via an analytical technique. From the reported analysis, it is examined that Graphene Oxide-molybdenum disulfide/C₂H₆O₂-H₂O has better heat transport characteristics and is therefore reliable for industrial and technological purposes. The temperature of Graphene Oxide GO-molybdenum disulfide/C₂H₆O₂-H₂O enhances in the presence of thermal relaxation parameter and radiative effects. Also, it is noted that rotational velocity of the hybrid nanofluid rises for stronger magnetic parameter effects. Moreover, prevailed behavior of thermal conductivity of GO-molybdenum disulfide/C₂H₆O₂-H₂O is detected which shows that hybrid nanofluids are a better conductor as compared to that of a regular nanofluid. Full article

(This article belongs to the Special Issue Applications of Computational Fluid Dynamics)

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16 pages, 9897 KiB

Open AccessArticle

Impacts of Freezing Temperature Based Thermal Conductivity on the Heat Transfer Gradient in Nanofluids: Applications for a Curved Riga Surface

by Adnan, Syed Zulfiqar Ali Zaidi, Umar Khan, Naveed Ahmed, Syed Tauseef Mohyud-Din, Yu-Ming Chu, Ilyas Khan and Kottakkaran Sooppy Nisar

Molecules 2020, 25(9), 2152; https://doi.org/10.3390/molecules25092152 - 05 May 2020

Cited by 29 | Viewed by 2387

Abstract

The flow of nanofluid over a curved Riga surface is a topic of interest in the field of fluid dynamics. A literature survey revealed that the impacts of freezing temperature and the diameter of nanoparticles on the heat transfer over a curved Riga surface have not been examined so far. Therefore, the flow of nanoparticles, which comprises the influences of freezing temperature and nanoparticle diameter in the energy equation, was modeled over a curved Riga surface. The model was reduced successfully in the nondimensional version by implementing the feasible similarity transformations and effective models of nanofluids. The coupled nonlinear model was then examined numerically and highlighted the impacts of various flow quantities in the flow regimes and heat transfer, with graphical aid. It was examined that nanofluid velocity dropped by increasing the flow parameters γ and S, and an abrupt decrement occurred at the surface of the Riga sheet. The boundary layer region enhances for larger γ. The temperature distribution was enhanced for a more magnetized nanofluid, and the thermal boundary layer increased with a larger R parameter. The volume fraction of the nanoparticles favors the effective density and dynamic viscosity of the nanofluids. A maximum amount of heat transfer at the surface was observed for a more magnetized nanofluid. Full article

(This article belongs to the Special Issue Applications of Computational Fluid Dynamics)

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21 pages, 12921 KiB

Open AccessArticle

Radiative Colloidal Investigation for Thermal Transport by Incorporating the Impacts of Nanomaterial and Molecular Diameters (d_{Nanoparticles}, d_Fluid): Applications in Multiple Engineering Systems

by Naveed Ahmed, Adnan, Umar Khan, Syed Tauseef Mohyud-Din, Yu-Ming Chu, Ilyas Khan and Kottakkaran Sooppy Nisar

Molecules 2020, 25(8), 1896; https://doi.org/10.3390/molecules25081896 - 20 Apr 2020

Cited by 12 | Viewed by 1646

Abstract

Thermal enhancement and irreversible phenomena in colloidal suspension (Al₂O₃-H₂O) is a potential topic of interest from the aspects of industrial, mechanical and thermal engineering; heat exchangers; coolant car radiators; and bio-medical, chemical and civil engineering. In the light of these applications, a colloidal analysis of Al₂O₃-H₂O was made. Therefore, a colloidal model is considered and treated numerically. The significant influences of multiple parameters on thermal enhancement, entropy generation and Bejan parameter are examined. From the presented colloidal model, it is explored that Al₂O₃-H₂O is better for the applications of mechanical and applied thermal engineering. Moreover, fraction factor tiny particles are significant parameters which enhanced the thermal capability of the Al₂O₃-H₂O suspension. Full article

(This article belongs to the Special Issue Applications of Computational Fluid Dynamics)

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15 pages, 4452 KiB

Open AccessArticle

Biphasic Computational Fluid Dynamics Modelling of the Mixture in an Agricultural Sprayer Tank

by Jorge Badules, Mariano Vidal, Antonio Boné, Emilio Gil and F. Javier García-Ramos

Molecules 2020, 25(8), 1870; https://doi.org/10.3390/molecules25081870 - 18 Apr 2020

Cited by 1 | Viewed by 2104

Abstract

Agitation inside agricultural sprayer tanks can be studied while using an international standard procedure, based on obtaining internal samples of liquid. However, in practice, this test is not easy to perform. Herein, we propose the explicit study of the mixing procedure with biphasic computer simulations using Computational Fluid Dynamics (CFD). An experimental test was performed on a 3000 L tank of a commercial air-assisted sprayer, with two different agitation system configurations, in order to compare the results of several theoretical physical models of biphasic flows for CFD, both Eulerian and Lagrangian. From the analysis of these theoretical models, we conclude that the Volume of Fluid model is not viable and the Discrete Phase Model produces erroneous results, while the Eulerian and Mixture models can both be useful. However, the results obtained suggest that complex streams generated by real-world agitation systems produce more errors in calculations. Both models can be conducted in the design phase, prior to the implementation of the machine. In addition, the computer simulations allow for researchers to analyse the mixing process in detail, making it possible to evaluate the efficiency of an agitation system according to the time that is required to reach mixture homogeneity. Full article

(This article belongs to the Special Issue Applications of Computational Fluid Dynamics)

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