Sadegh Sadeghzadeh
@iust.ac.ir
School of Advanced Technologies
Associate Professor
RESEARCH INTERESTS
MEMS and NEMS, Sensors, Graphene, Energy harvesting, Molecular Dynamics
Scopus Publications
Scholar Citations
Scholar h-index
Scholar i10-index
Scopus Publications
Ali Ghavipanjeh and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractIn this article, the formation of laser-induced graphene on the two natural polymers, cellulose, and lignin, as precursors was investigated with molecular dynamics simulations and some experiments. These eco-friendly polymers provide significant industrial advantages due to their low cost, biodegradability, and recyclable aspects. It was discovered during the simulation that LIG has numerous defects and a porous structure. Carbon monoxide, H2, and water vapor are gases released by cellulose and lignin substrates. H2O and CO are released when the polymer transforms into an amorphous structure. Later on, as the amorphous structure changes into an ordered graphitic structure, H2 is released continuously. Since cellulose monomer has a higher mass proportion of oxygen (49%) than lignin monomer (29%), it emits more CO. The LIG structure contains many 5- and 7-carbon rings, which cause the structure to have bends and undulations that go out of the plane. In addition, to verify the molecular dynamics simulation results with experimental tests, we used a carbon dioxide laser to transform filter paper, as a cellulose material, and coconut shell, as a lignin material, into graphene. Surprisingly, empirical experiments confirmed the simulation results.
Maryam Jafari, Jafar Mahmoudi, and Sadegh Sadeghzadeh
Elsevier BV
Mohammadreza Moradi, Jafar Mahmoudi, and Sadegh Sadeghzadeh
American Chemical Society (ACS)
Mohammad Aghajani Hashjin, Shadi Zarshad, Hosein Banna Motejadded Emrooz, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractAdsorption-based atmospheric water harvesting has emerged as a compelling solution in response to growing global water demand. In this context, Metal–organic frameworks (MOFs) have garnered considerable interest due to their unique structure and intrinsic porosity. Here, MOF 801 was synthesized using two different methods: solvothermal and green room temperature synthesis. Comprehensive characterization indicated the formation of MOF-801 with high phase purity, small crystallite size, and excellent thermal stability. Nitrogen adsorption–desorption analysis revealed that green-synthesized MOF-801 possessed an 89% higher specific surface area than its solvothermal-synthesized counterpart. Both adsorbents required activation at a minimum temperature of 90 °C for optimal adsorption performance. Additionally, green-synthesized MOF-801 demonstrated superior adsorption performance compared to solvothermal-synthesized MOF-801, attributed to its small crystal size (around 66 nm), more hydrophilic functional groups, greater specific surface area (691.05 m2/g), and the possibility of having a higher quantity of defects. The maximum water adsorption capacity in green-synthesized MOF-801 was observed at 25 °C and 80% relative humidity, with a value of 41.1 g/100 g, a 12% improvement over the solvothermal-synthesized MOF-801. Remarkably, even at a 30% humidity level, green-synthesized MOF-801 displayed a considerable adsorption capacity of 31.5 g/100 g. Importantly, MOF-801 exhibited long-term effectiveness in multiple adsorption cycles without substantial efficiency decline.
Maryam Hajianzadeh, Jafar Mahmoudi, and Sadegh Sadeghzadeh
Springer Science and Business Media LLC
AbstractMethane is the main component of shale gas and is adsorbed in shale pores. Methane adsorption not only affects the estimation of shale gas reserves but also reduces extraction efficiency. Therefore, investigating the behavior of methane adsorption in shale reservoirs is important for evaluating shale gas resources, as well as understanding its desorption and displacement from the nanochannels of shale gas reservoirs. In this research, molecular dynamics simulations were used to investigate the adsorption behavior of methane gas in organic shale pores made of graphenylene, followed by its displacement by CO2 and N2 injection gases. The effects of pore size, pressure, and temperature on adsorption were examined. It was observed that increasing the pore size at a constant pressure led to a decrease in the density of adsorbed methane molecules near the pore surface, while a stable free phase with constant density formed in the central region of the nanopore. Moreover, adsorption increased with increasing pressure, and at pressures ranging from 0 to 3 MPa, 15 and 20 Å pores exhibited lower methane adsorption compared to other pores. The amount of adsorption decreased with increasing temperature, and the observed adsorption isotherm followed the Langmuir adsorption isotherm. The mechanism of methane displacement by the two injected gases differed. Carbon dioxide filled both vacant adsorption sites and directly replaced the adsorbed methane. On the other hand, nitrogen only adsorbed onto the vacant sites and, by reducing the partial pressure of methane, facilitated the displacement of methane.
Moharram Habibnejad Korayem, Mahboube Mehrabani, and Sadegh Sadeghzadeh
Elsevier BV
Zahra Ahrestani, Sadegh Sadeghzadeh, and Hosein Banna Motejadded Emrooz
Royal Society of Chemistry (RSC)
Correction for ‘An overview of atmospheric water harvesting methods, the inevitable path of the future in water supply’ by Zahra Ahrestani et al., RSC Adv., 2023, 13, 10273–10307, https://doi.org/10.1039/D2RA07733G.
Zahra Ahrestani, Sadegh Sadeghzadeh, and Hosein Banna Motejadded Emrooz
Royal Society of Chemistry (RSC)
Although science has made great strides in recent years, access to fresh water remains a major challenge for humanity due to water shortage for two-thirds of the world's population.
Mozhdeh Mirakhory, Mohammad Mahdi Khatibi, Sadegh Sadeghzadeh, and Seyed Mahmoud Mortazavi
Elsevier BV
Mobin Safarzadeh Khosrowshahi, Mohammad Ali Abdol, Hossein Mashhadimoslem, Elnaz Khakpour, Hosein Banna Motejadded Emrooz, Sadegh Sadeghzadeh, and Ahad Ghaemi
Springer Science and Business Media LLC
AbstractBiomass-derived porous carbons have been considered one of the most effective adsorbents for CO2 capture, due to their porous structure and high specific surface area. In this study, we successfully synthesized porous carbon from celery biomass and examined the effect of external adsorption parameters including time, temperature, and pressure on CO2 uptake in experimental and molecular dynamics (MD) simulations. Furthermore, the influence of carbon’s surface chemistry (carboxyl and hydroxyl functionalities) and nitrogen type on CO2 capture were investigated utilizing MD simulations. The results showed that pyridinic nitrogen has a greater tendency to adsorb CO2 than graphitic. It was found that the simultaneous presence of these two types of nitrogen has a greater effect on the CO2 sorption than the individual presence of each in the structure. It was also revealed that the addition of carboxyl groups (O=C–OH) to the carbon matrix enhances CO2 capture by about 10%. Additionally, by increasing the simulation time and the size of the simulation box, the average absolute relative error for simulation results of optimal structure declined to 16%, which is an acceptable value and makes the simulation process reliable to predict adsorption capacity under various conditions.
Hamidreza Hassanloo, Sadegh Sadeghzadeh, and Rouhollah Ahmadi
Elsevier BV
Mehrdad Roshan, Ali Reza Akbarzadeh, Sadegh Sadeghzadeh, and Ali Maleki
Elsevier BV
Mojtaba Safdari, Rouhollah Ahmadi, and Sadegh Sadeghzadeh
Elsevier BV
Hossein Tafrishi, Sadegh Sadeghzadeh, and Rouhollah Ahmadi
Royal Society of Chemistry (RSC)
Phase change materials (PCM) have had a significant role as thermal energy transfer fluids and nanofluids and as media for thermal energy storage.
Abbas Moghim, Maisam Jalaly, and Sadegh Sadeghzadeh
Wiley
Mahboube Mehrabani, Mohammad Mahdi Khatibi, Sadegh Sadeghzadeh, and Mohammad Reza Ashory
Elsevier BV
Mojtaba Safdari, Sadegh Sadeghzadeh, Rouhollah Ahmadi, and Fatemeh Molaei
Hindawi Limited
Problems with latent heat thermal storage (LHTS) often contain several boundary conditions that an exact solution cannot solve. Therefore, novel methods to tackle such issues could fundamentally change the design of innovative energy storage systems. This study concentrates on the reformulation of the generalized differential quadrature method (GDQM) for the two‐region freezing/melting Stefan problem as an essential LHTS challenge. Comparison and convergence show that there is sufficient confidence in the proposed approach. By monitoring the precision of the suggested approach for the LHTS problem, it was indicated that this method's error depends on Stefan's number. The maximum error of all Stefan numbers up to 0.3 is less than 6%. For such applications in a standard array of LHTS (Stefan numbers between 0 and 0.2), the proposed method is appropriate as it predicts the answers with a maximum of 4.2% error. In comparison to the heat capacity method, GDQM delivers a more precise result at higher processing times. Additionally, this GDQM priority is accompanied by a low computational cost, which is unquestionably superior.
Sadegh Sadeghzadeh and Mohammad Mahinzare
Informa UK Limited
Abstract As the main contribution, a nonlocal strain gradient theory (NSGT) is developed in conjugation with the generalized differential quadrature method (GDQM) to analyze the free vibration of a transversely graded nanoshell subjected to magnetic and thermal loads derived by using the first-order shear deformation theory (FSDT) and Hamilton’s principle. Comparisons with other common methods have shown the validity of the presented NSGT-GDQM hybrid approach. The effects of power-law exponent, nonlocal parameter, strain gradient parameter, magnetic potential, angular velocity, and temperature for both simply supported and clamped boundary conditions of a nanoshell composed of BaTiO3 and CoFe2O4 materials were investigated. Sensitivity analysis illustrates that more resolution will be available with clamped boundaries. With increasing the temperature gradient, the absolute value of the sensitivity increases and the maximum sensitivity value occurs always on the critical buckling point. Finally, comparing two studied boundary conditions revealed that if there is any temperature rise limit, the clamped boundary condition is suggested because of more sensitivity. Though the temperature gradient could be more than 400 K in the case of simply supported edges, the maximum absolute sensitivity could be obtained is about 0.12 wherein the case of clamped boundary condition it was about 0.17.
Ali Malekpour, Rouhollah Ahmadi, and Sadegh Sadeghzadeh
Elsevier BV
Fatemeh Molaei, Kasra Einalipour Eshkalak, Sadegh Sadeghzadeh, and Hossein Siavoshi
Springer Science and Business Media LLC
AbstractCarbon, nitrogen, and boron nanostructures are promising ballistic protection materials due to their low density and excellent mechanical properties. In this study, the ballistic properties of C3N and BC3 nanosheets against hypersonic bullets with Mach numbers greater than 6 were studied. The critical perforation conditions, and thus, the intrinsic impact strength of these 2D materials were determined by simulating ballistic curves of C3N and BC3 monolayers. Furthermore, the energy absorption scaling law with different numbers of layers and interlayer spacing was investigated, for homogeneous or hybrid configurations (alternated stacking of C3N and the BC3). Besides, we created a hybrid sheet using van der Waals bonds between two adjacent sheets based on the hypervelocity impacts of fullerene (C60) molecules utilizing molecular dynamics simulation. As a result, since the higher bond energy between N–C compared to B-C, it was shown that C3N nanosheets have higher absorption energy than BC3. In contrast, in lower impact speeds and before penetration, single-layer sheets exhibited almost similar behavior. Our findings also reveal that in hybrid structures, the C3N layers will improve the ballistic properties of BC3. The energy absorption values with a variable number of layers and variable interlayer distance (X = 3.4 Å and 4X = 13.6 Å) are investigated, for homogeneous or hybrid configurations. These results provide a fundamental understanding of ultra-light multilayered armors' design using nanocomposites based on advanced 2D materials. The results can also be used to select and make 2D membranes and allotropes for DNA sequencing and filtration.
Ali Dadrasi, Sasan Fooladpanjeh, Kasra Einalipour Eshkalak, Sadegh Sadeghzadeh, and Mohammad Reza Saeb
Elsevier BV
Arian Mayelifartash, Mohammad Ali Abdol, and Sadegh Sadeghzadeh
Royal Society of Chemistry (RSC)
A hybrid was investigated with superlattice periods of 0.852 nm that has a higher conductivity. The increasing length causes more phonon modes to be excited and leads to easier thermal transport, and deliberately-created holes decrease the ITR.
Fatemeh Molaei, Kasra Einalipour Eshkalak, Sadegh Sadeghzadeh, and Hossein Siavoshi
Elsevier BV
Mohammad Ali Abdol, Sadegh Sadeghzadeh, Maisam Jalaly, and Mohammad Mahdi Khatibi
Elsevier BV
Mojtaba Safdari, Sadegh Sadeghzadeh, and Rouhollah Ahmadi
Hindawi Limited
The thermal management system of a Lithium‐ion battery consisting of phase‐change material (PCM) is considered in this study. The batteries are covered by a large volume of PCM. A 18650 battery is used in this numerical investigation as a case study and all achievements are implemented on it. The battery thermal management system (BTMS) parameters during discharge‐rest‐charge‐rest cycles are concerned to understand PCM behavior and battery resilience in the long run. The battery is placed adjacent to various PCMs and is charged and discharged at different rates. Results show that the paraffin wax has the worst performance, and hydrate salt and capric acid have the best performance. Furthermore, the use of polyethylene glycol as PCM improves the performance of the BTMS. Meanwhile, the composite of nano‐graphite and PCM would increase a reasonable effect on the BTMS functionality.