Sajid Khan, Dil Faraz Khan, Tariq Usman, Hayat Ullah, G. Murtaza, Saeed Ullah Jan, Muhammad Waqar Ashraf, Asif Ilyas
{"title":"First-principles investigation of structural, electronic and thermoelectric properties of SmMg2X2 (X = P, As, Sb, Bi) zintl compounds","authors":"Sajid Khan, Dil Faraz Khan, Tariq Usman, Hayat Ullah, G. Murtaza, Saeed Ullah Jan, Muhammad Waqar Ashraf, Asif Ilyas","doi":"10.1142/s021797922450437x","DOIUrl":"https://doi.org/10.1142/s021797922450437x","url":null,"abstract":"<p>Structure complexity, adequate electronic character and congenital lower thermal conductivity of zintl phases result in designing thermoelectrics of tremendous efficiency. Such qualities of zintl phases embolden us to present a detailed study of SmMg<sub>2</sub>X<sub>2</sub> (X = P, As, Sb, Bi) zintl compounds by first principles. The structural characteristics fit well with the existing data. Electronic properties of titled compounds are scrutinized by adopting PBE-GGA, TB-mBJ and hybrid (YS-PBE0) potentials. The band structure calculations through TB-mBJ and hybrid (YS-PBE0) proclaim the semiconducting behavior of compounds and there is a shrinkage of band gap by changing X anion from P to Bi. The density of states (DOS) calculation reveals that there is a major contribution of Sm-<i>f</i> states and Mg atom in valence band while in conduction band, the prominent role is offered by Sm-<i>d</i> states and <i>p</i> states of X anion. Similarly, the temperature-dependent thermoelectric properties are scrutinized by using BoltzTraP2 code embedded within WIEN2k software for with and without spin–orbit coupling (SOC) and also through hybrid (YS-PBE0) functional. SOC, but even more hybrid functional, has been shown to have a significant effect on the transport behavior. Optimized values of carriers’ concentration are achieved which subsidize thermoelectric parameters like power factor (PF), Seebeck coefficient (<span><math altimg=\"eq-00001.gif\" display=\"inline\" overflow=\"scroll\"><mi>S</mi><mo stretchy=\"false\">)</mo></math></span><span></span> and thermoelectric figure of merit (ZT) at elevated temperature. The compounds show excellent thermoelectric performance in the studied temperature range.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"11 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Francis Segovia-Chaves, Hassen Dakhlaoui, Santiago Santos Beltrán
{"title":"Effect of thickness and applied pressure on quality factor in defective photonic crystals composed of polymer materials","authors":"Francis Segovia-Chaves, Hassen Dakhlaoui, Santiago Santos Beltrán","doi":"10.1142/s0217979225500043","DOIUrl":"https://doi.org/10.1142/s0217979225500043","url":null,"abstract":"<p>In this work, we employed the transfer-matrix method to obtain the transmittance spectrum of a defective one-dimensional photonic crystal composed of polymer materials. We consider that the dielectric constant of the polymers is a function of the applied pressure, and the cavity is infiltrated by plasma cells. When blood plasma concentration and cavity thickness are increased, we observe a defective mode tuned to long wavelengths within the photonic band gap. By calculating the energy stored in the cavity, a maximization of the quality factor to <span><math altimg=\"eq-00001.gif\" display=\"inline\" overflow=\"scroll\"><mo>∼</mo><mn>2</mn><mo>.</mo><mn>5</mn><mn>5</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>4</mn></mrow></msup></math></span><span></span> for a 2350<span><math altimg=\"eq-00002.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>nm cavity was observed. In addition, we report that as the applied pressure increases, the defective mode shifts to shorter wavelengths, accompanied by a decrease in the quality factor to <span><math altimg=\"eq-00003.gif\" display=\"inline\" overflow=\"scroll\"><mn>2</mn><mo>.</mo><mn>3</mn><mn>0</mn><mo>×</mo><mn>1</mn><msup><mrow><mn>0</mn></mrow><mrow><mn>4</mn></mrow></msup></math></span><span></span> for a pressure of 100<span><math altimg=\"eq-00004.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>MPa.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"21 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047241","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ali Rehman, Ma Chau Khun, Mehdi Tlija, Rashid Jan, Mustafa Inc, Shah Hussain
{"title":"Analytical study and heat transfer analysis of on couple stress flow of hybrid nanofluid over a nonlinear stretching surface","authors":"Ali Rehman, Ma Chau Khun, Mehdi Tlija, Rashid Jan, Mustafa Inc, Shah Hussain","doi":"10.1142/s0217979225500018","DOIUrl":"https://doi.org/10.1142/s0217979225500018","url":null,"abstract":"<p>This research paper investigates a two-dimensional couple stress flow of hybrid nanofluid (HN) over a nonlinear stretching surface with heat transfer analysis. HNs are well-known for their exceptional heat transfer properties compared to conventional fluids. The mathematical modeling of the problem involves the formulation of basic governing equations, namely, continuity, momentum and energy equations. To simplify the analysis, a similarity transformation technique is employed to convert the dimensional NLPDEs into dimensionless NODEs. Subsequently, the obtained governing equations are analytically solved using the HAM. The investigation explores the impact of several parameters, including magnetic field inclination, slip parameter, couple stress parameter, nanoparticle volume fraction, nonlinear stretching parameter, EN, thermophoresis parameter and PN. This study presents graphical representations of temperature and velocity distribution to visualize the effects of these parameters on the HN flow. Furthermore, different graphs and tables are employed to explain the impact of the factors on SF and NN. Notably, the results indicate that the HN exhibits significantly enhanced heat transfer properties over the base fluid, particularly under the influence of an inclined magnetic field. This research is expected to contribute to the advancement of the field of condensed nanostructure and nanomaterials, opening new avenues for further exploration in heat transfer enhancement applications.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"15 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047010","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Adiabatic elimination in the presence of multiphoton transitions in atoms inside a cavity","authors":"Prosenjit Maity","doi":"10.1142/s0217979224504393","DOIUrl":"https://doi.org/10.1142/s0217979224504393","url":null,"abstract":"<p>Various approaches have been used in the literature for eliminating nonresonant levels in atomic systems and deriving effective Hamiltonians. Important among these are elimination techniques at the level of probability amplitudes, operator techniques to project the dynamics on to the subspace of resonant levels, Green’s function techniques, the James’ effective Hamiltonian approach, etc. None of the previous approaches is suitable for deriving effective Hamiltonians in intracavity situations. However, the James’ approach does work in the case of only two-photon transitions in a cavity. A generalization of the James’ approach works in the case of three-photon transitions in a cavity, but only under Raman-like resonant conditions. Another important approach for adiabatic elimination is based on an adaptation of the Markov approximation well-known in the theory of system–bath interactions. However, this approach has not been shown to work in intracavity situations. In this paper, we present a method of adiabatic elimination for atoms inside cavities in the presence of multiphoton transitions. We work in the Heisenberg picture, and our approach has the advantage that it allows one to derive effective Hamiltonians even when Raman-like resonance conditions do not hold.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"30 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047097","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Natural convective and Cattaneo–Christov model for couple stress nanofluid at the middle of the squeezed channel with sensor surface","authors":"T. Salahuddin, Muhammad Awais","doi":"10.1142/s0217979224504435","DOIUrl":"https://doi.org/10.1142/s0217979224504435","url":null,"abstract":"<p>The aim of this work is to present a natural convective and squeezing flow model of two-dimensional couple stress nanofluid which is flowing on the sensory surface with variable fluid viscosity. The fluid flowing on a microcantilever sensory surface and squeezing is happening at free stream. The sensor is also useful to detect the movement of fluid and the variations in thermal and solutal rates. The Cattaneo–Christov model is adopted along with nanoparticle and chemical reaction to explore the transmission of heat and mass rates. The analysis of heat transmission in non-Newtonian couple stress fluid flowing on squeezed sensory surface by using the Cattaneo–Christov heat conduction model has various industrial and scientific applications including the polymer processing, wastewater treatment, chemical reactors, biomedical flows, cooling and heating processes in industries, heat exchangers, microfluidics, oil and gas industries. All the assumptions are applied in the basic governing laws laws and then we get the model of the partial differential equations. The governing model of equations is transmuted into ordinary differential equations form via the transformations and then the numerical results of these ODE’s are examined with a well-defined numerical technique “Shooting Method”. For higher inputs of couple stress, squeezing index and permeability velocity, the fluid’s internal velocity decreases. Because of the Prandtl number and thermal relaxation coefficient, the heat transfer mechanism slows down. Mass transfer increases for greater inputs of the thermal diffusivity coefficient and decreases due to concentration relaxation. Further, the numerical dependency of emerging parameters on the skin friction is illustrated in tabular form. The parametric effects on the model (velocity, temperature and concentration) are introduced using numerical values shown in the table.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"30 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Structures, stabilities and electronic properties of carbon monoxide adsorbed and embedded boron nitride nanotubes with different lengths","authors":"Zhi Li, Jia-Cong Li, Shu-Qi Yang, Jia-Hui Yin","doi":"10.1142/s0217979224504381","DOIUrl":"https://doi.org/10.1142/s0217979224504381","url":null,"abstract":"<p>The boron nitrides as excellent sensors are adopted to detect some harmful gases. The adsorption sites and lengths of the boron nitrides are very important to improve the adsorption capacity. The structures, stabilities and electronic properties of the COB<sub><i>m</i></sub>N<sub><i>m</i></sub> and CO@B<sub><i>m</i></sub>N<sub><i>m</i></sub> (<span><math altimg=\"eq-00001.gif\" display=\"inline\" overflow=\"scroll\"><mi>m</mi><mo>=</mo><mn>4</mn><mn>8</mn></math></span><span></span>, 96 and 144) nanotubes with different lengths have been investigated by using density functional theory. The longer B<sub><i>m</i></sub>N<sub><i>m</i></sub>, COB<sub><i>m</i></sub>N<sub><i>m</i></sub> and CO@B<sub><i>m</i></sub>N<sub><i>m</i></sub> clusters are more stable. The adsorption of the CO molecules at the ends of B<sub><i>m</i></sub>N<sub><i>m</i></sub> nanotubes competes with the insertion of the CO molecules in the B<sub><i>m</i></sub>N<sub><i>m</i></sub> nanotubes. The COB<sub><i>m</i></sub>N<sub><i>m</i></sub> clusters exhibit higher chemical reactivity than the CO@B<sub><i>m</i></sub>N<sub><i>m</i></sub> clusters. The lengths of the B<sub><i>m</i></sub>N<sub><i>m</i></sub> nanotubes have little effect on the chemical reactivity of the nanotubes. The charge transfer amounts of the O atoms increase while those of the C atoms of the COB<sub><i>m</i></sub>N<sub><i>m</i></sub> and CO@B<sub><i>m</i></sub>N<sub><i>m</i></sub> clusters are almost the same with the increase of cluster lengths. The CO molecules lose fewer electrons (<span><math altimg=\"eq-00002.gif\" display=\"inline\" overflow=\"scroll\"><mn>0</mn><mo>.</mo><mn>1</mn><mn>7</mn><mn>4</mn><mspace width=\".17em\"></mspace><mi>|</mi><mstyle><mtext mathvariant=\"normal\">e</mtext></mstyle><mi>|</mi></math></span><span></span>, <span><math altimg=\"eq-00003.gif\" display=\"inline\" overflow=\"scroll\"><mn>0</mn><mo>.</mo><mn>1</mn><mn>6</mn><mn>4</mn><mspace width=\".17em\"></mspace><mi>|</mi><mstyle><mtext mathvariant=\"normal\">e</mtext></mstyle><mi>|</mi></math></span><span></span>, <span><math altimg=\"eq-00004.gif\" display=\"inline\" overflow=\"scroll\"><mn>0</mn><mo>.</mo><mn>1</mn><mn>5</mn><mn>8</mn><mspace width=\".17em\"></mspace><mi>|</mi><mstyle><mtext mathvariant=\"normal\">e</mtext></mstyle><mi>|</mi></math></span><span></span>) to the B<sub><i>m</i></sub>N<sub><i>m</i></sub> nanotubes of the COB<sub><i>m</i></sub>N<sub><i>m</i></sub> clusters while the CO molecules obtain fewer electrons (<span><math altimg=\"eq-00005.gif\" display=\"inline\" overflow=\"scroll\"><mo>−</mo><mn>0</mn><mo>.</mo><mn>0</mn><mn>2</mn><mn>8</mn><mspace width=\".17em\"></mspace><mi>|</mi><mstyle><mtext mathvariant=\"normal\">e</mtext></mstyle><mi>|</mi></math></span><span></span>, <span><math altimg=\"eq-00006.gif\" display=\"inline\" overflow=\"scroll\"><mo>−</mo><mn>0</mn><mo>.</mo><mn>0</mn><mn>4</mn><mn>5</mn><mspace width=\".17em\"></mspace><mi>|</mi><mstyle><mtext mathvariant=\"normal\">e</mtext></mstyle><mi>|</mi></math></span><span></span>, <span><math ","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"18 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047240","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Shuguang Li, Z. Asghar, M. Waqas, Hala A. Hejazi, M. Zubair, Dilsora Abduvalieva
{"title":"A rheological and computational analysis on Buongiorno nanofluid model featuring magnetohydrodynamics","authors":"Shuguang Li, Z. Asghar, M. Waqas, Hala A. Hejazi, M. Zubair, Dilsora Abduvalieva","doi":"10.1142/s0217979225500080","DOIUrl":"https://doi.org/10.1142/s0217979225500080","url":null,"abstract":"<p>This research captures nonlinear thermo-solutal buoyancy (i.e., nonlinear mixed convection) impact in nanofluid flow based on magnetized Casson model. The generalized porosity concept (i.e., Darcy–Forchheimer relationship) is employed by considering incompressible liquid that saturates the porous space. Effects of thermophoresis, Robin conditions, thermo-solutal stratifications and Brownian diffusion are accounted. Consideration of transpiration phenomenon captures suction/injection aspects. Fluid mechanics basic laws are depleted to simplify the governing rheological expressions. A transformation procedure is then employed to convert the nonlinear governing partial systems into differential systems. Homotopy methodology is used to obtain analytical solutions and convergence is ensured. Graphical and tabular outcomes are presented to address the importance of emerging variables.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"15 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047132","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
L. Joseph Sademaki, MD. Shamshuddin, S. O. Salawu, B. Prabhakar Reddy
{"title":"Unsteady dynamical analysis of convective hydromagnetic thermal migration of chemically reacting tiny species with dissipation and radiation in an inclined porous plate","authors":"L. Joseph Sademaki, MD. Shamshuddin, S. O. Salawu, B. Prabhakar Reddy","doi":"10.1142/s0217979224504423","DOIUrl":"https://doi.org/10.1142/s0217979224504423","url":null,"abstract":"<p>The essence of the current examination is to carry out thermofluid parametric sensitivity with time-varying thermal migration of chemically reactive tiny species across an oscillating infinite plate surface. The impact of thermal motile tiny particles under the influence of many other oscillating flow parameters has yet to be investigated; hence the results obtained in this research are novel. Using a suitable non-dimensional variable, the leading PDEs (partial differential equations) are transmuted into dimensionless PDEs, ensuring equations are numerically solved using the MAPLE built-in approach. The numerical values produced in a limited scenario are linked with the outcomes found in the literature to validate the precision of the numerical approach utilized. The fluctuations in the profiles of the velocity, temperature, and concentration, in addition to the wall friction and rate of thermal and solutal transport, are illustrated via graphs and tables due to the modification of the critical parameters. The endmost results of the study concede that increasing permeability quantity and thermal and solutal buoyancy impellers intensify the fluid velocity. In contrast, a converse tendency is perceived with magnetic parameter and also, wall friction acts opposite to the velocity. The fluid temperature attenuated with dilation of the Prandtl number and radiation parameter, whilst a contrary trend was perceived with Eckert number. The increasing thermo-diffusion helps to develop fluid concentration whilst the Schmidt number and chemical reaction displayed opposite trend. Further, we achieved a tremendous conformity between the current findings and genuine results in the literature.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"35 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ma Huaijin, Jin Xiang, Gao Lei, Zhao Jing, Xing Ru, Yun Huiqin, Zhao Jianjun
{"title":"Magnetocaloric effects and critical behavior of La0.65Ca0.35−xGdxMnO3 (0≤x≤0.15)","authors":"Ma Huaijin, Jin Xiang, Gao Lei, Zhao Jing, Xing Ru, Yun Huiqin, Zhao Jianjun","doi":"10.1142/s0217979224504368","DOIUrl":"https://doi.org/10.1142/s0217979224504368","url":null,"abstract":"<p>In this study, we investigate the magnetocaloric effects (MCE) and critical behavior of Gd-doped La<span><math altimg=\"eq-00007.gif\" display=\"inline\" overflow=\"scroll\"><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>6</mn><mn>5</mn></mrow></msub></math></span><span></span>Ca<span><math altimg=\"eq-00008.gif\" display=\"inline\" overflow=\"scroll\"><msub><mrow></mrow><mrow><mn>0</mn><mo>.</mo><mn>3</mn><mn>5</mn><mo>−</mo><mi>x</mi></mrow></msub></math></span><span></span>Gd<sub><i>x</i></sub>MnO<sub>3</sub> (<span><math altimg=\"eq-00009.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>,</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>0</mn><mo>,</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>5</mn></math></span><span></span>) polycrystalline materials. Our results reveal excellent MCE in the Gd-doped samples. Under a magnetic field of 7<span><math altimg=\"eq-00010.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>T, the full-width at half maximum (<span><math altimg=\"eq-00011.gif\" display=\"inline\" overflow=\"scroll\"><mi mathvariant=\"normal\">Δ</mi><msub><mrow><mi>T</mi></mrow><mrow><mstyle><mtext mathvariant=\"normal\">FWHM</mtext></mstyle></mrow></msub><mo stretchy=\"false\">)</mo></math></span><span></span> increases from 41<span><math altimg=\"eq-00012.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>K (<span><math altimg=\"eq-00013.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>0</mn><mn>0</mn></math></span><span></span>) to 121<span><math altimg=\"eq-00014.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>K (<span><math altimg=\"eq-00015.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>0</mn></math></span><span></span>) and 112<span><math altimg=\"eq-00016.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>K (<span><math altimg=\"eq-00017.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>5</mn></math></span><span></span>). Additionally, the refrigerant capacity (RC) is enhanced by 149% and 145% at <span><math altimg=\"eq-00018.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>0</mn></math></span><span></span> and <span><math altimg=\"eq-00019.gif\" display=\"inline\" overflow=\"scroll\"><mi>x</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>1</mn><mn>5</mn></math></span><span></span>, respectively, compared to the parent phase. We propose that these improvements can be attributed to the introduction of Gd<span><math altimg=\"eq-00020.gif\" display=\"inline\" overflow=\"scroll\"><msup><mrow></mrow><mrow><mn>3</mn><mo>+</mo></mrow></msup></math></span><span></span> ions, which possess smaller ionic radii. This reduction in the average A-site ionic radius weakens the double exchange (DE) interactions, resulting in a more","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"44 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047014","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A molecular simulation study on the adsorption and separation performance of carbon nanotubes for SO2 in flue gas","authors":"Jiawei Zhang, Dachuan Qin, Siyao Liu, Wei Wang","doi":"10.1142/s0217979224504356","DOIUrl":"https://doi.org/10.1142/s0217979224504356","url":null,"abstract":"<p>To control the emission of SO<sub>2</sub> from flue gas into the atmosphere while considering the capture and collection of greenhouse gas CO<sub>2</sub>, the adsorption behavior of a binary mixture of SO<sub>2</sub> and other gases in flue gas (O<sub>2</sub>/N<sub>2</sub>/H<sub>2</sub>O/CO<span><math altimg=\"eq-00001.gif\" display=\"inline\" overflow=\"scroll\"><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub><mo stretchy=\"false\">)</mo></math></span><span></span> in (10, 10) carbon nanotube (CNT) was simulated using grand canonical Monte Carlo (GCMC) simulation. The adsorption and separation performance of SO<sub>2</sub> in CNTs with a diameter range of 0.81–1.63 nm for the five-component mixture gas was also analyzed. The findings suggest that the adsorption and separation of SO<sub>2</sub> are primarily influenced by CO<sub>2</sub> (reduction of adsorption capacity by about 50%, separation coefficient of SO<sub>2</sub>/CO<sub>2</sub> is lowest) with this effect being more pronounced under high pressure. Meanwhile, it was observed that CNTs with larger pipe diameters exhibit higher SO<sub>2</sub> adsorption capacity, but relatively lower SO<sub>2</sub>/CO<sub>2</sub> selectivity and lower stability. On the other hand, CNTs with smaller diameters have relatively lower adsorption capacity for SO<sub>2</sub>, but exhibit good selectivity and stability (under different pressure) for SO<sub>2</sub>/CO<sub>2</sub>. Based on the statistical analysis of SO<sub>2</sub> adsorption capacity and SO<sub>2</sub>/CO<sub>2</sub> selectivity, it was determined that (6, 6) CNT with a diameter of 0.81<span><math altimg=\"eq-00002.gif\" display=\"inline\" overflow=\"scroll\"><mspace width=\".17em\"></mspace></math></span><span></span>nm can exhibit excellent SO<sub>2</sub> adsorption and separation performance at atmospheric pressure, while appropriate large diameter CNTs should be selected for flue gas treatment under high pressure.</p>","PeriodicalId":14108,"journal":{"name":"International Journal of Modern Physics B","volume":"11 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2024-02-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140047142","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}