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First-principles investigation of structural, electronic and thermoelectric properties of SmMg2X2 (X = P, As, Sb, Bi) zintl compounds SmMg2X2 (X = P、As、Sb、Bi) 锌化合物结构、电子和热电特性的第一性原理研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s021797922450437x
Sajid Khan, Dil Faraz Khan, Tariq Usman, Hayat Ullah, G. Murtaza, Saeed Ullah Jan, Muhammad Waqar Ashraf, Asif Ilyas

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 SmMg2X2 (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-f states and Mg atom in valence band while in conduction band, the prominent role is offered by Sm-d states and p 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 (S) and thermoelectric figure of merit (ZT) at elevated temperature. The compounds show excellent thermoelectric performance in the studied temperature range.

锌相的结构复杂、电子特性充分以及先天热导率较低,因此可以设计出效率极高的热电材料。锌相的这些特性使我们有勇气通过第一原理对 SmMg2X2(X = P、As、Sb、Bi)锌化合物进行详细研究。其结构特征与现有数据十分吻合。通过采用 PBE-GGA、TB-mBJ 和混合(YS-PBE0)电势,对标题化合物的电子特性进行了仔细研究。通过 TB-mBJ 和混合(YS-PBE0)计算得出的带状结构证明了化合物的半导体行为,当 X 阴离子从 P 变为 Bi 时,带隙会缩小。状态密度(DOS)计算显示,价带中的 Sm-f 态和镁原子起了主要作用,而导带中的 Sm-d 态和 X 阴离子的 p 态起了主要作用。同样,通过使用 WIEN2k 软件中嵌入的 BoltzTraP2 代码,对有自旋轨道耦合(SOC)和无自旋轨道耦合(SOC)以及混合(YS-PBE0)函数的热电性能进行了仔细研究。结果表明,自旋轨道耦合(SOC)以及混合函数对传输行为有显著影响。载流子浓度达到了优化值,从而在高温条件下提高了热电参数,如功率因数 (PF)、塞贝克系数 (S) 和热电功勋值 (ZT)。这些化合物在所研究的温度范围内显示出卓越的热电性能。
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引用次数: 0
Effect of thickness and applied pressure on quality factor in defective photonic crystals composed of polymer materials 厚度和外加压力对聚合物材料组成的缺陷光子晶体品质因数的影响
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979225500043
Francis Segovia-Chaves, Hassen Dakhlaoui, Santiago Santos Beltrán

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 2.55×104 for a 2350nm 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 2.30×104 for a pressure of 100MPa.

在这项工作中,我们采用了转移矩阵法来获取由聚合物材料组成的有缺陷一维光子晶体的透射光谱。我们认为聚合物的介电常数是外加压力的函数,空腔被血浆细胞渗透。当血浆浓度和空腔厚度增加时,我们会观察到一个调谐到光子带隙内长波长的缺陷模式。通过计算空腔中存储的能量,我们观察到 2350nm 波长空腔的品质因数达到最大值 ∼ 2.55×104。此外,我们还发现,随着施加压力的增加,缺陷模式会转向较短的波长,同时,在压力为 100MPa 时,品质因数会降低到 2.30×104。
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引用次数: 0
Analytical study and heat transfer analysis of on couple stress flow of hybrid nanofluid over a nonlinear stretching surface 非线性拉伸表面上混合纳米流体的耦合应力流分析研究与传热分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979225500018
Ali Rehman, Ma Chau Khun, Mehdi Tlija, Rashid Jan, Mustafa Inc, Shah Hussain

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.

本研究论文通过传热分析研究了非线性拉伸表面上混合纳米流体(HN)的二维耦合应力流。众所周知,与传统流体相比,混合纳米流体具有优异的传热性能。该问题的数学建模涉及基本控制方程的制定,即连续性方程、动量方程和能量方程。为了简化分析,采用了相似性转换技术,将有维数 NLPDE 转换为无维数 NODE。随后,利用 HAM 对所得到的控制方程进行分析求解。研究探讨了几个参数的影响,包括磁场倾斜度、滑移参数、耦合应力参数、纳米粒子体积分数、非线性拉伸参数、EN、热泳参数和 PN。本研究用图形表示温度和速度分布,以直观显示这些参数对 HN 流动的影响。此外,还采用了不同的图表来解释这些因素对 SF 和 NN 的影响。值得注意的是,研究结果表明,与基础流体相比,HN 的传热性能明显增强,尤其是在倾斜磁场的影响下。这项研究有望推动凝聚纳米结构和纳米材料领域的发展,为进一步探索传热增强应用开辟新的途径。
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引用次数: 0
Adiabatic elimination in the presence of multiphoton transitions in atoms inside a cavity 空腔内原子存在多光子跃迁时的绝热消除
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504393
Prosenjit Maity

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.

文献中使用了各种方法来消除原子系统中的非共振水平并推导出有效哈密顿。其中重要的有概率振幅层面的消除技术、将动力学投射到共振级子空间的算子技术、格林函数技术、詹姆斯有效哈密顿方法等。之前的方法都不适合在腔内情况下推导有效哈密顿。不过,詹姆斯方法确实适用于腔内只有双光子跃迁的情况。詹姆斯方法的一个概括适用于腔内三光子跃迁的情况,但仅限于类似拉曼共振的条件下。绝热消除的另一种重要方法是基于系统-浴相互作用理论中著名的马尔可夫近似的改编。然而,这种方法尚未证明在腔内情况下有效。在本文中,我们提出了一种针对存在多光子跃迁的腔内原子的绝热消除方法。我们在海森堡图景中工作,我们的方法的优势在于,即使在拉曼共振条件不成立的情况下,也能推导出有效哈密顿。
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引用次数: 0
Natural convective and Cattaneo–Christov model for couple stress nanofluid at the middle of the squeezed channel with sensor surface 带传感器表面的挤压通道中间耦合应力纳米流体的自然对流和卡塔尼奥-克里斯托夫模型
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504435
T. Salahuddin, Muhammad Awais

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.

这项研究的目的是提出一种二维耦合应力纳米流体的自然对流和挤压流模型,该流体在具有可变流体粘度的传感表面上流动。流体在微悬臂传感表面上流动,并在自由流下发生挤压。该传感器还可用于检测流体的运动以及热和溶解速率的变化。采用 Cattaneo-Christov 模型以及纳米粒子和化学反应来探索热量和质量速率的传输。利用 Cattaneo-Christov 热传导模型分析非牛顿耦合应力流体在挤压感官表面流动时的热传导,在工业和科学领域有多种应用,包括聚合物加工、废水处理、化学反应器、生物医学流、工业冷却和加热过程、热交换器、微流体技术、石油和天然气工业等。所有假设都适用于基本的支配定律,然后我们就得到了偏微分方程模型。通过变换,将控制方程模型转换为常微分方程形式,然后使用定义明确的数值技术 "射击法 "对这些常微分方程的数值结果进行检验。输入的耦合应力、挤压指数和渗透速度越大,流体的内部速度越小。由于普朗特数和热松弛系数的影响,传热机制减慢。热扩散系数越大,传质越多,而浓度松弛会导致传质减少。此外,还以表格形式说明了新出现的参数对表皮摩擦力的数值依赖性。表中的数值显示了参数对模型(速度、温度和浓度)的影响。
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引用次数: 0
Structures, stabilities and electronic properties of carbon monoxide adsorbed and embedded boron nitride nanotubes with different lengths 不同长度的一氧化碳吸附和嵌入氮化硼纳米管的结构、稳定性和电子特性
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504381
Zhi Li, Jia-Cong Li, Shu-Qi Yang, Jia-Hui Yin
<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
氮化硼作为一种出色的传感器,被用来检测一些有害气体。氮化硼的吸附位点和长度对提高吸附能力非常重要。利用密度泛函理论研究了不同长度的 COBmNm 和 CO@BmNm(m=48、96 和 144)纳米管的结构、稳定性和电子特性。较长的 BmNm、COBmNm 和 CO@BmNm 簇更为稳定。一氧化碳分子在 BmNm 纳米管末端的吸附与一氧化碳分子在 BmNm 纳米管中的插入相互竞争。COBmNm 簇的化学反应活性高于 CO@BmNm 簇。BmNm 纳米管的长度对纳米管的化学反应活性影响不大。COBmNm 和 CO@BmNm 簇中 O 原子的电荷转移量随着簇长度的增加而增加,而 C 原子的电荷转移量则几乎相同。CO 分子向 COBmNm 簇的 BmNm 纳米管失去的电子较少(0.174|e|,0.164|e|,0.158|e|),而 CO 分子从 CO@BmNm 簇的 BmNm 纳米管获得的电子较少(-0.028|e|,-0.045|e|,-0.045|e|)。
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The structures, stabilities and electronic properties of the COB&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; and CO@B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; (&lt;span&gt;&lt;math altimg=\"eq-00001.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;m&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mn&gt;8&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, 96 and 144) nanotubes with different lengths have been investigated by using density functional theory. The longer B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;, COB&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; and CO@B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; clusters are more stable. The adsorption of the CO molecules at the ends of B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; nanotubes competes with the insertion of the CO molecules in the B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; nanotubes. The COB&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; clusters exhibit higher chemical reactivity than the CO@B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; clusters. The lengths of the B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; 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&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; and CO@B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; clusters are almost the same with the increase of cluster lengths. The CO molecules lose fewer electrons (&lt;span&gt;&lt;math altimg=\"eq-00002.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;7&lt;/mn&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;e&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, &lt;span&gt;&lt;math altimg=\"eq-00003.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;e&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, &lt;span&gt;&lt;math altimg=\"eq-00004.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mn&gt;8&lt;/mn&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;e&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;) to the B&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; nanotubes of the COB&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt;N&lt;sub&gt;&lt;i&gt;m&lt;/i&gt;&lt;/sub&gt; clusters while the CO molecules obtain fewer electrons (&lt;span&gt;&lt;math altimg=\"eq-00005.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mn&gt;2&lt;/mn&gt;&lt;mn&gt;8&lt;/mn&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;e&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, &lt;span&gt;&lt;math altimg=\"eq-00006.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mn&gt;4&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;e&lt;/mtext&gt;&lt;/mstyle&gt;&lt;mi&gt;|&lt;/mi&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, &lt;span&gt;&lt;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}
引用次数: 0
A rheological and computational analysis on Buongiorno nanofluid model featuring magnetohydrodynamics 以磁流体力学为特征的布昂乔诺纳米流体模型的流变学和计算分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979225500080
Shuguang Li, Z. Asghar, M. Waqas, Hala A. Hejazi, M. Zubair, Dilsora Abduvalieva

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.

本研究基于磁化卡森模型,捕捉纳米流体流动中的非线性热固浮力(即非线性混合对流)影响。通过考虑饱和多孔空间的不可压缩液体,采用了广义多孔性概念(即达西-福克海默关系)。考虑了热泳、罗宾条件、热溶分层和布朗扩散的影响。对蒸腾现象的考虑捕捉到了吸入/注入方面。流体力学基本定律被删除,以简化流变表达式。然后采用变换程序将非线性控制部分系统转换为微分系统。使用同调方法获得分析解,并确保收敛性。图解和表格结果表明了新出现变量的重要性。
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引用次数: 0
Unsteady dynamical analysis of convective hydromagnetic thermal migration of chemically reacting tiny species with dissipation and radiation in an inclined porous plate 带耗散和辐射的化学反应微小物种在倾斜多孔板中对流水磁热迁移的非稳态动力学分析
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504423
L. Joseph Sademaki, MD. Shamshuddin, S. O. Salawu, B. Prabhakar Reddy

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.

本次研究的实质是对化学反应微小粒子在振荡无限板表面上的时变热迁移进行热流体参数敏感性分析。在许多其他振荡流参数的影响下,热迁移微小颗粒的影响尚未得到研究,因此本研究获得的结果是新颖的。通过使用合适的非一维变量,将主要的 PDE(偏微分方程)转换为无量纲 PDE,确保使用 MAPLE 内置方法对方程进行数值求解。在有限情况下产生的数值与文献中的结果相联系,以验证所使用的数值方法的精确性。通过图表和表格说明了由于关键参数的修改而导致的速度、温度和浓度曲线的波动,以及壁面摩擦力、热和溶质迁移率。研究的最终结果表明,增加渗透量以及热浮力和溶解浮力的叶轮会提高流体速度。与此相反,磁性参数和壁面摩擦力的作用与流速相反。流体温度随普朗特数和辐射参数的增大而降低,而随埃克特数的增大则呈相反趋势。热扩散的增加有助于提高流体浓度,而施密特数和化学反应则显示出相反的趋势。此外,我们的研究结果与文献中的真实结果非常吻合。
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引用次数: 0
Magnetocaloric effects and critical behavior of La0.65Ca0.35−xGdxMnO3 (0≤x≤0.15) La0.65Ca0.35-xGdxMnO3 (0≤x≤0.15) 的磁致效应和临界行为
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504368
Ma Huaijin, Jin Xiang, Gao Lei, Zhao Jing, Xing Ru, Yun Huiqin, Zhao Jianjun
<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
在本研究中,我们研究了掺钆 La0.65Ca0.35-xGdxMnO3 (x=0,0.10,0.15)多晶材料的磁致效应(MCE)和临界行为。我们的研究结果表明,掺钆样品具有优异的 MCE 性能。在 7T 的磁场下,半最大全宽(ΔTFWHM)从 41K (x=0.00) 增加到 121K (x=0.10) 和 112K (x=0.15)。此外,与母相相比,制冷剂容量(RC)在 x=0.10 和 x=0.15 时分别提高了 149% 和 145%。我们认为,这些改进可归因于引入了具有较小离子半径的 Gd3+ 离子。平均 A 位离子半径的减小削弱了双交换(DE)相互作用,从而使体系内的相变更加连续。为支持这一观点,我们观察到掺杂后磁化强度下降,居里温度(TC)从 250K (x=0.00) 降低到 134K (x=0.10) 和 130K (x=0.15),掺杂样品的相变从一阶转变为二阶。为了描述掺杂样品中相变的临界行为,我们采用了 K-F 方法。在 x=0.10 和 x=0.15 时得到的临界指数分别为 β=0.380±0.006, γ=1.323±0.003, δ=4.482±0.005 和 β=0.477±0.008, γ=1.083±0.004, δ=3.270±0.002。此外,n 值的计算表明,掺杂样品的相变从短程有序过渡到了长程有序。
{"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":"&lt;p&gt;In this study, we investigate the magnetocaloric effects (MCE) and critical behavior of Gd-doped La&lt;span&gt;&lt;math altimg=\"eq-00007.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;6&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;Ca&lt;span&gt;&lt;math altimg=\"eq-00008.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msub&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;mo&gt;−&lt;/mo&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;Gd&lt;sub&gt;&lt;i&gt;x&lt;/i&gt;&lt;/sub&gt;MnO&lt;sub&gt;3&lt;/sub&gt; (&lt;span&gt;&lt;math altimg=\"eq-00009.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;) polycrystalline materials. Our results reveal excellent MCE in the Gd-doped samples. Under a magnetic field of 7&lt;span&gt;&lt;math altimg=\"eq-00010.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;T, the full-width at half maximum (&lt;span&gt;&lt;math altimg=\"eq-00011.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi mathvariant=\"normal\"&gt;Δ&lt;/mi&gt;&lt;msub&gt;&lt;mrow&gt;&lt;mi&gt;T&lt;/mi&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mstyle&gt;&lt;mtext mathvariant=\"normal\"&gt;FWHM&lt;/mtext&gt;&lt;/mstyle&gt;&lt;/mrow&gt;&lt;/msub&gt;&lt;mo stretchy=\"false\"&gt;)&lt;/mo&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; increases from 41&lt;span&gt;&lt;math altimg=\"eq-00012.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;K (&lt;span&gt;&lt;math altimg=\"eq-00013.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;) to 121&lt;span&gt;&lt;math altimg=\"eq-00014.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;K (&lt;span&gt;&lt;math altimg=\"eq-00015.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;) and 112&lt;span&gt;&lt;math altimg=\"eq-00016.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mspace width=\".17em\"&gt;&lt;/mspace&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;K (&lt;span&gt;&lt;math altimg=\"eq-00017.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;). Additionally, the refrigerant capacity (RC) is enhanced by 149% and 145% at &lt;span&gt;&lt;math altimg=\"eq-00018.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; and &lt;span&gt;&lt;math altimg=\"eq-00019.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;mi&gt;x&lt;/mi&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mn&gt;0&lt;/mn&gt;&lt;mo&gt;.&lt;/mo&gt;&lt;mn&gt;1&lt;/mn&gt;&lt;mn&gt;5&lt;/mn&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt;, respectively, compared to the parent phase. We propose that these improvements can be attributed to the introduction of Gd&lt;span&gt;&lt;math altimg=\"eq-00020.gif\" display=\"inline\" overflow=\"scroll\"&gt;&lt;msup&gt;&lt;mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;mn&gt;3&lt;/mn&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;/mrow&gt;&lt;/msup&gt;&lt;/math&gt;&lt;/span&gt;&lt;span&gt;&lt;/span&gt; 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}
引用次数: 0
A molecular simulation study on the adsorption and separation performance of carbon nanotubes for SO2 in flue gas 关于碳纳米管对烟气中二氧化硫的吸附和分离性能的分子模拟研究
IF 1.7 4区 物理与天体物理 Q2 PHYSICS, APPLIED Pub Date : 2024-02-29 DOI: 10.1142/s0217979224504356
Jiawei Zhang, Dachuan Qin, Siyao Liu, Wei Wang

To control the emission of SO2 from flue gas into the atmosphere while considering the capture and collection of greenhouse gas CO2, the adsorption behavior of a binary mixture of SO2 and other gases in flue gas (O2/N2/H2O/CO2) in (10, 10) carbon nanotube (CNT) was simulated using grand canonical Monte Carlo (GCMC) simulation. The adsorption and separation performance of SO2 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 SO2 are primarily influenced by CO2 (reduction of adsorption capacity by about 50%, separation coefficient of SO2/CO2 is lowest) with this effect being more pronounced under high pressure. Meanwhile, it was observed that CNTs with larger pipe diameters exhibit higher SO2 adsorption capacity, but relatively lower SO2/CO2 selectivity and lower stability. On the other hand, CNTs with smaller diameters have relatively lower adsorption capacity for SO2, but exhibit good selectivity and stability (under different pressure) for SO2/CO2. Based on the statistical analysis of SO2 adsorption capacity and SO2/CO2 selectivity, it was determined that (6, 6) CNT with a diameter of 0.81nm can exhibit excellent SO2 adsorption and separation performance at atmospheric pressure, while appropriate large diameter CNTs should be selected for flue gas treatment under high pressure.

为了控制烟道气中的二氧化硫向大气中的排放,同时考虑到温室气体二氧化碳的捕获和收集,利用大规范蒙特卡洛(GCMC)模拟了烟道气中二氧化硫和其他气体(O2/N2/H2O/CO2)的二元混合物在(10,10)碳纳米管(CNT)中的吸附行为。还分析了直径范围为 0.81-1.63 nm 的碳纳米管对五组分混合气体中 SO2 的吸附和分离性能。研究结果表明,SO2 的吸附和分离主要受 CO2 的影响(吸附容量降低约 50%,SO2/CO2 的分离系数最低),这种影响在高压下更为明显。同时,还观察到管径较大的 CNT 具有较高的 SO2 吸附能力,但 SO2/CO2 选择性相对较低,稳定性也较差。另一方面,直径较小的 CNT 对 SO2 的吸附能力相对较低,但对 SO2/CO2 具有良好的选择性和稳定性(在不同压力下)。根据二氧化硫吸附容量和二氧化硫/二氧化碳选择性的统计分析,可以确定直径为 0.81nm 的(6,6)CNT 在常压下可以表现出优异的二氧化硫吸附和分离性能,而在高压下处理烟气时应选择适当的大直径 CNT。
{"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}
引用次数: 0
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International Journal of Modern Physics B
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