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Publication Metadata only Calculation of diffusion coefficient of doxycycline and naproxen adsorption on HKUST-1/ZnO/SA nanocomposite(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Jie, Qi; Hassan, Waqed H.; Naser, Ghazi Faisal; Singh, Narinderjit Singh Sawaran; Al-Athari, Ali Jihad Hemid; Abdullaeva, Barno; Salahshour, Soheil; Emami, Nafiseh; Sajadi, S. Mohammad; North University of China; University of Warith Alanbiyaa; University of Kerbala; Al-Muthanna University; Al-Ayen University; INTI International University; Al-Mustaqbal University College; Tashkent State Pedagogical University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityIn recent years, water shortages and pollution of these finite resources have emerged as major worldwide problems. Pharmaceutical pollutants make up the largest percentage of all water pollutants. According to empirical evidence, the adsorption method was the most effective way to eliminate pharmaceutical pollutants from aquatic environments. The adsorption process was divided into three sections: Three diffusion and adsorption in adsorbent pores in the liquid bulk, and two mass transfer in the boundary layer. In the last step of adsorption, the mechanism of the adsorption process is formed by diffusion inside the adsorbent. Recently, there has been a lot of interest in modeling to solve mass transfer equations and estimate attributes, mostly because it is less expensive and riskier than experimental methods. In this study, the Langmuir kinetics model was used to match the Dp of naproxen and doxycycline on the HKUST-1/ZnO/SA nanocomposite adsorbent, which was calculated using MATLAB. The desired data were also collected, and the case model was fitted using experimental data. Using the formulae and fitting the graphs, the modeling results show that the external film mass transfer coefficient (kf) and Langmuir second-order forward rate coefficient (k1) were comparable to 1.53 x 10- 6 cm/s and 4.6 x 10-3 cm3/mg.s, respectively. Using the determined k1 and kf, the Dp of doxycycline was within the range of Dp in solids and was 2.13 x 10-10 cm2/s. Given that the obtained k1 and kf equaled 2.10 x 10- 10 cm2/s, the Dp of naproxen was within the range of Dp in solids. Until it reached its maximum value on the adsorbent surface, the concentration rose in tandem with the radius.Publication Metadata only Promising effects of various types of twisted tapes on the printed circuit heat exchangers filled with supercritical carbon dioxide: A numerical study(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Li, Huiliang; Rasheed, Rassol Hamed; El-Sharkawy, Mohamed R.; Salazar, Maria Jose Mendoza; Jebur, Shadha K.; Al-Bahrani, Mohammed; Salahshour, Soheil; Emami, Nafiseh; University of Warith Alanbiyaa; Al-Furat Al-Awsat Technical University; Al-Amarah University College; University of Technology- Iraq; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityPrinted circuit heat exchangers (PCHEs) are compact and efficient devices widely used for heat transfer in various applications. The heat transfer performance of PCHEs can be further improved through the use of twisted tape inserts, which enhance fluid mixing and induce secondary flows. The effect of twisted tape inserts on the flow and heat transfer characteristics of PCHEs with straight channels is investigated using numerical analysis. Different twisted tape configurations are examined, including variations in twist ratio, pitch, and orientation. Additionally, a novel design involving rotating plates inside the straight channels is proposed, which can be fabricated using 3D printing or similar techniques. The performance of these rotating plates is compared with that of conventional twisted tapes and plain PCHEs. Results indicate that twisted tapes and rotating plates significantly enhance heat transfer, with the plus-shaped twisted tape increasing the local heat transfer coefficient by up to 37.56 % and the average Nusselt number to 64.27. This enhancement is accompanied by an increase in pressure drop and pumping power, up to 48.63 %. The double horizontal twisted tape, with a PEC number of 1.46832, is identified as the optimal design. These findings underscore the potential of these methods for improving heat transfer in PCHEs.Publication Metadata only Designing a power transfer system for the investigation of the magnetorheological characteristics of a magnetic fluid(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Wang, Xuan; Ali, Ali B. M.; Singh, Narinderjit Singh Sawaran; AL-Khafaji, Mohsin O.; Abduvalieva, Dilsora; Teimourimanesh, Navid; Alhashemi, Mohammed Faris Shakir; Salahshour, Soheil; Hekmatifar, Maboud; Jiaxing Nanhu University; University of Warith Alanbiyaa; INTI International University; Al-Mustaqbal University College; Tashkent State Pedagogical University; Islamic Azad University; Al-Amarah University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityThis study explored the performance of magnetic fluids in couplings, focusing on optimizing torque and rotational transfer. It investigated how variations in mass fraction, oil film thickness, and cylinder diameter impacted the efficiency and torque transfer capabilities of the system. The research aimed to identify the optimal combination of these parameters for improved performance under magnetic field conditions. The study employed both experimental and numerical simulation methods. Cylinders with diameters of 80 mm, 105 mm, and 130 mm were tested to analyze the dynamics of fluid flow between internal and external cylinders. Numerical simulations predicted optimal system performance, and the results were validated through laboratory experiments. Key metrics included torque transfer, rotational velocity, oil film thickness, and shear stress applied to the cylinder walls. The findings show that reducing oil film thickness enhanced torque and rotational transfer. The 80 mm cylinder performed poorly at low mass fractions, while the 105 mm cylinder achieved effective performance at a 60 % mass fraction. The 130 mm cylinder demonstrated superior performance across all mass fractions due to its thinner oil film and higher shear stress. However, torque transfer plateaued at magnetic field intensities above 0.33 T, indicating limitations in system control. In conclusion, optimizing mass fraction and cylinder diameter enabled significant improvements in torque and rotational transfer. The system achieved a maximum torque of 2.75 N.m and a peak rotational speed of 820 rpm with a 130 mm cylinder at a 60 % mass fraction.Publication Metadata only Influence of graphene nanoplate size and heat flux on nanofluid heat exchanger performance: A molecular dynamics approach(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Yang, Zhongxiu; Basem, Ali; Jasim, Dheyaa J.; Singh, Narinderjit Singh Sawaran; Saeidlou, Salman; Al-Bahrani, Mohammed; Sajadi, S. Mohammad; Salahshour, Soheil; Hasanabad, Ali Mohammadi; Weifang University of Science & Technology; University of Warith Alanbiyaa; Al-Maarif University; INTI International University; Canterbury Christ Church University; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityThis study aimed to enhance the thermal efficiency of nanofluid-based heat exchangers by exploring the simultaneous effects of external heat flux and graphene nanoplate sizes on thermal and structural characteristics. Effective heat transfer is a critical requirement for managing heat in microscale systems, where optimizing the thermal performance of nanofluids can improve device performance. Molecular dynamics simulations were carried out of a sinusoidal inner surface copper heat exchanger coated with silicon nanoparticles to demonstrate atomic-level interaction within the nanofluid. The significant findings showed that while an external rising heat flux decreased heat flux from 41.7 to 37.26 W/m2 and thermal conductivity of nanofluid from 14.53 to 13.80 W/ m & sdot,K, only an increase in viscosity from 0.32 to 0.49 mPa & sdot,s, the agglomeration time of nanoparticles decreased from 3.71 to 3.33 ns and friction coefficient from 0.022 to 0.015, could indicate a difference in particle behavior responding to the thermal stress. However, the size of the graphene nanoplate from 5 to 15 & Aring, increases the heat flux from 40.05 to 46.77 W/m2 and thermal conductivity of the nanofluid from 14.15 to 14.99 W/m & sdot,K, since the larger graphene nanoplate films can produce a more substantial covalent bonding and link interlayer coupling. In contrast, the larger nanoplate also enhanced viscosity from 0.30 to 0.39 mPa & sdot,s, aggregation time from 3.64 to 4.01 ns, and friction coefficient from 0.020 to 0.026, which indicated lower particle mobility. This study was the first of its kind to contribute to the existing knowledge gap by investigating the simultaneous effect of both the nanoplate size and external heat flux in an oscillating microchannel heat exchanger. The knowledge provided offers an experimental pathway in optimizing the nanofluid properties and the heat exchanger geometry for improved thermal management for compact and microscale applications.Publication Metadata only The stability of the SARS-COV-2 structure in the presence of variable external heat flux in the vicinity of the water/silver nanofluid: A molecular dynamics simulation(ELSEVIER, 2025) Wu, Dongfang; Ali, Ali B. M.; Mohammed, Abrar A.; Alizadeh, As'ad; Salahshour, Soheil; Hashemian, M.; Wang, Mengxia; Fudan University; University of Warith Alanbiyaa; Al-Amarah University College; Cihan University-Erbil; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar University; Islamic Azad University; Zhejiang University of Technology; Hangzhou Medical College; Zhejiang Provincial People's HospitalChanges in the dynamics and conformation of the SARS-COV-2 structure, which are usually brought on by external heat flux (HF), may have an impact on the structure's stability. For example, increased HF levels may cause the protein to unravel or denaturate, which may lead to a loss of functioning. By examining the impact of exogenous HF on the stability of SARS-COV-2 structure using molecular dynamics simulations, these complex mechanisms may be better understood, and the virus's capacity to adapt to different environments can be enhanced. This work investigated the effect of the varied HF frequency on the stability of the SARS-COV-2 virus in the proximity of a water fluid containing silver nanoparticles using molecular dynamics modelling. The SARS-COV-2 virus and silver-water nanofluid were shown to have the following properties: mean square displacement, diffusion coefficient, and interaction energy (IE) at HFs ranging from 0.01 to 0.1 ps-1. The results showed that the modeled samples' equilibrium phase occurred at 300 K. Furthermore, it was found that the generated nanofluid contained an inactivated copy of the SARS-CoV-2 virus. Numerically, the SARS-COV-2 sample's diffusion coefficient and IE converged to 0.3856 nm2/ps and 3037.83 kcal/mol, respectively. Furthermore, the results of the simulation suggested that setting the HF parameter to 0.01 fs-1 would result in a higher degree of degradation of the SARS-CoV-2 virus. These results are expected to improve the effectiveness of SARS-CoV-2 viral degradation procedures in clinical applications.Publication Metadata only Numerical study of changes in the mechanical and thermal property of porous silicon sample with increasing initial temperature: A molecular dynamics approach(PERGAMON-ELSEVIER SCIENCE LTD, 2024) Liu, Shupeng; Ali, Ali B. M.; Hussein, Muntadher Abed; Kumar, Anjan; Abduvalieva, Dilsora; Abdul-Redha, Hadeel Kareem; Salahshour, Soheil; Emami, Nafiseh; Hebei GEO University; University of Warith Alanbiyaa; University of Manara; GLA University; Tashkent State Pedagogical University; Al-Amarah University College; Okan University; Bahcesehir University; Lebanese American University; University of IsfahanThe mechanical and thermal properties of porous silicon samples were examined in this investigation in relation to their initial temperature (Temp). The molecular dynamics (MD) numerical simulation method was employed to analyze the results, and LAMMPS software was used to model the porous sample. The simulations conducted in the present study predicted the physical equilibrium of porous silicon samples that were modeled. The research results indicate that the ultimate strength and Young's modulus of porous structures decreased from 26.559 and 52.484 GPa to 25.830 and 52.304 GPa as the Temp increased from 300 to 500 K. The results indicate that the toughness decreased from 10.788 eV/& Aring,3 to 10.195 eV/& Aring,3 as the initial Temp increased to 500 K. Additionally, MSD and diffusion coefficient of porous silicon sample increased from 3.88 nm2 and 27.86 nm2/ns to 8.67 nm2 and 75.56 nm2/ns when the Temp increased from 300 K to 500 K. As the Temp increases to 500 K, the COM increases from 0.236 to 0.41 & Aring,. The total energy of system decreases to -29,259.648 eV when the initial Temp of the porous silicon sample increases to 500 K. Changes in the atomic-scale dynamics and the structural properties of porous silicon network were responsible for this tendency. This study's novelty lies in its focus on the unknown relationship between Temp and porous silicon performance. The results of this study indicate that the Temp had a significant effect on the mechanical and thermal properties of porous silicon samples. These findings are necessary to advance the practical use of porous silicon in various technological fields, especially in Tempsensitive applications, where understanding its behavior under different thermal conditions is very important.Publication Metadata only Modeling the mechanical behavior of platinum-graphene nanocomposites prepared via powder metallurgy at various initial temperatures and pressures(PERGAMON-ELSEVIER SCIENCE LTD, 2025) Ru, Yi; Basem, Ali; Hussein, Rasha Abed; Singh, Narinderjit Singh Sawaran; Al-Bahrani, Mohammed; Salahshour, Soheil; Mokhtarian, Ali; Hekmatifar, M.; Wang, Mengxia; University of Toronto; University of Warith Alanbiyaa; University of Manara; INTI International University; Al-Mustaqbal University College; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar University; Islamic Azad University; Zhejiang University of Technology; Hangzhou Medical College; Zhejiang Provincial People's HospitalIntroduction: This study investigated the mechanical properties of platinum-graphene nanocomposites synthesized through powder metallurgy, focusing on how temperature and pressure affected their behavior. The aim was to understand these influences, which are crucial for industrial and medical applications. Using molecular dynamics simulations, the study investigated to optimize these materials for enhanced performance, particularly in improving the biocompatibility of platinum-based materials for medical use. Development: This study aimed to analyze the impact of various temperatures and pressures on the stress-strain curve, ultimate strength, and Young's modulus of platinum-graphene nanocomposites using molecular dynamics simulations. The study examined how these factors influenced the material's performance under different conditions. Conclusion: The results indicate that ultimate strength decreased from 116 to 105 MPa, and Young's modulus decreased from 1099 to 1000 MPa as temperature increased from 300 to 400 K. This decrease was due to higher temperatures causing increased atomic vibrations and weaker interatomic bonds, reducing resistance to deformation and failure. Similarly, fracture stress decreased from 106.744 to 97.655 MPa, and the strain ratio decreased from 27.15 to 25.92 at the fracture stress point with rising temperature. Conversely, changing the pressure from 1 to 5 bar resulted in an increase in Young's modulus and ultimate strength to 1297 MPa and 137 MPa, respectively. Higher pressure enhanced atomic packing, strengthening interatomic bonds and improving fracture resistance. At 5 bar pressure, fracture stress rose from 106.744 to 119.40 MPa, while the strain ratio at the fracture stress point increased from 27.15 to 31.914. In conclusion, temperature and pressure significantly influenced the mechanical properties of platinum-graphene nanocomposites, impacting their industrial and medical applications.Publication Metadata only Using CFD analysis to evaluate the performance of a natural gas compressor under different geometries of internal parts(ELSEVIER, 2025) Liu, Rong; Ali, AliB. M.; Jasim, Dheyaa J.; Singh, Narinderjit Singh Sawaran; Al-Bahrani, Mohammed; Ahmad, Zubair; Akbari, Omid Ali; Salahshour, Soheil; Hasanabad, Ali Mohammadi; Jilin University; University of Warith Alanbiyaa; Al-Maarif University; INTI International University; Al-Mustaqbal University College; King Khalid University; King Khalid University; Arak University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar UniversityNatural gas transmission networks in some countries are the main arteries of this energy source. Their extensiveness and the fluid properties of natural gas necessitate proper compression under all conditions. The design of pressure boosting stations and the operation prediction under different consumer demand conditions necessitate using several parallel compressors capable of different rotational speeds. In this study, a model of a heavy-duty centrifugal compressor used in these stations has been studied. First, using the finite volume method, the compressor is simulated with initial conditions and in three dimensions. Then, suggestions are made to modify the geometry of its various parts, and their effects under all flow rates and rotational speeds are examined. The impact of the number of blades/vanes in the impellers, the intermediate diffuser, and the inlet channel has been studied. The effect of using splitters has also been examined. The results show that although the use of splitters is not recommended, changing the number of blades/vanes in other parts can increase the efficiency of the compressor. Increasing the number of IGVs reduces the compressor power consumption by 5.9 %. Increasing the number of IBs from 15 to 18 for the first and second stages increases the outlet pressure by 2.93 % and 0.32 %, respectively. It also decreases the outlet entropy by 46.80 % and 28.45 %, respectively. It also decreased TKE in the first stage from 172.83J/K to 139.26J/K (19.99 %) and increased it from-52.73 to 4.77J/K in the second stage. Reducing the number of diffuser vanes to 19 increased the efficiency by 1.1 %. Reducing the number of IBs to 15 increased the efficiency by 2.55 %. In general, since the natural gas consumption flow rate has changed from the initial design condi-tions, and the performance improvement resulting from the proposed modifications is greater at higher flow rates, these changes are justified.Publication Metadata only Investigating the effect of the number of layers of the atomic channel wall on Brownian displacement, thermophoresis, and thermal behavior of graphene/water nanofluid by molecular dynamics simulation(ELSEVIER, 2024) Guo, Xinwei; Jasim, Dheyaa J.; Alizadeh, Asad; Keivani, Babak; Nasajpour-Esfahani, Navid; Salahshour, Soheil; Shamsborhan, Mahmoud; Sabetvand, Rozbeh; North China University of Water Resources & Electric Power; Shanghai Jiao Tong University; Al-Amarah University College; Cihan University-Erbil; Kirsehir Ahi Evran University; University System of Georgia; Georgia Institute of Technology; Okan University; Bahcesehir University; Lebanese American University; University of Zakho; Amirkabir University of Technology; Xi'an University of Science & TechnologyNanofluids (NFs) are nanoscale colloidal suspensions containing dense nanomaterials. They are two-phase systems with solid in liquid phase. Due to their high thermal conductivity, nano -particles increase the thermal conductivity (TC) of base fluids, one of the basic heat transfer parameters, when distributed in the base fluids. The present research investigates the thermal behavior, Brownian motion, and thermophoresis of water/graphene NF affected by different numbers of atomic wall layers (4, 5, 6 and 7) by molecular dynamics (MD) simulation. This investigation reports changes in heat flux (HF), TC, average Brownian displacement, and ther-mophoresis displacement. By raising the number of atomic wall layers from 4 to 7, the average Brownian displacement and thermophoresis displacement increase from 3.06 angstrom and 23.88 angstrom to 3.62 and 25.05 angstrom, respectively. Increasing the number of layers due to the decrease in temper-ature increases the temperature difference between the hot and cold points along the channel. It increases the Brownian motion and the maximum temperature. Additionally, by raising the atomic layers of the channel wall, the values of HF and TC increase from 39.54 W/m2 and 0.36 W/mK to 41.18 W/m2 and 0.42 W/mK after 10 ns, respectively. The temperature rose from 1415 to 1538 K. These results are useful in different industries, especially for improving the thermal properties of different NFs.Publication Metadata only Heat transfer and entropy investigation of non-Newtonian nanofluid mixed convection in a cubic cavity with a wavy bottom wall under the influence of a magnetic field(ELSEVIER, 2025) Younis, Obai; Abderrahmane, Aissa; Ali, Ali B. M.; Rashad, Ahmed; Ahmed, Sameh E.; Mourad, Abed; Salahshour, Soheil; Hekmatifar, Maboud; Guedri, Kamel; Prince Sattam Bin Abdulaziz University; Universite de Mascara; University of Warith Alanbiyaa; Egyptian Knowledge Bank (EKB); Aswan University; King Khalid University; Okan University; Bahcesehir University; Ministry of Education of Azerbaijan Republic; Khazar University; Umm Al-Qura University1)Background: This article reports 3D simulations of nanofluid motion within a three-dimensional cubic cavity occupied with a permeable medium. It was supposed that the motion region holds a hot spinning cylinder and has a wavy bottom plane with various undulation values. Also, the domain was separated into two levels., namely, the permeable layer and the power-law nanofluid layer. 2)Methods: The worked mixture is a non-Newtonian liquid, and the magnetic impacts are analyzed. The (FEM) with a triangle-shaped part form was used to resolve the governing formulas. The results were demonstrated for a variety of motion factors, including the cylinder's angular velocity (Omega = 0 to 2000), Hartmann number (Ha= 0-10), power-law index (n= 0.8, 1 and 1.4), and undulation numbers (N= 1 to 4). The effects of the different factors on motion, heat transmission, and entropy formation are illustrated in stream function, isotherms, and isentropic contours. Increased amounts of Omega, Da, N, phi, besides decreased values of Ha, enhance the heat transmission. 3)Significant Findings: The majority of entropy production is caused by heat transmission., though liquid resistance and magneto impact also influence it.