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Significance of Arrhenius activation energy on three-dimensional unsteady nanofluid flow with nonlinear thermal radiation and Joule heating via wavelet technique
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-10-26 DOI: 10.1007/s10910-024-01680-y
M. P. Preetham, S. Kumbinarasaiah
{"title":"Significance of Arrhenius activation energy on three-dimensional unsteady nanofluid flow with nonlinear thermal radiation and Joule heating via wavelet technique","authors":"M. P. Preetham,&nbsp;S. Kumbinarasaiah","doi":"10.1007/s10910-024-01680-y","DOIUrl":"10.1007/s10910-024-01680-y","url":null,"abstract":"<div><p>This investigation focuses on the unsteady three-dimensional electrically conducting nanofluid flow over a bilateral nonlinear stretching sheet. A novel mathematical model is developed to incorporate the influences of Arrhenius activation energy, nonlinear thermal radiation, and Joule heating. The Taylor wavelet series collocation method (TWSCM) is employed for analysis. The governing partial differential equations (PDEs) are transformed by applying suitable similarity transformation into nonlinear coupled ordinary differential equations (ODEs). These ODEs are then solved using the TWSCM approach. This method allows us to explore how various physical parameters influence mass and heat transfer in the nanofluid flow. The findings reveal that the thermal Biot number and activation energy parameter significantly enhance the concentration field. Moreover, the heat transfer rate is found to increase with the temperature ratio and thermal Biot parameters while decreasing with the activation energy parameter.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"456 - 473"},"PeriodicalIF":1.7,"publicationDate":"2024-10-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373325","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Guest editorial for the special collection of mathematical chemistry papers 数学化学论文特辑》特约编辑
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-10-16 DOI: 10.1007/s10910-024-01676-8
Subhash C. Basak, Tanmoy Chakraborty
{"title":"Guest editorial for the special collection of mathematical chemistry papers","authors":"Subhash C. Basak,&nbsp;Tanmoy Chakraborty","doi":"10.1007/s10910-024-01676-8","DOIUrl":"10.1007/s10910-024-01676-8","url":null,"abstract":"","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"62 10","pages":"2371 - 2372"},"PeriodicalIF":1.7,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142518493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On a multi-fractional model for biogas production for a cellulose-based substrate
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-10-01 DOI: 10.1007/s10910-024-01678-6
Marline Ilha da Silva, Joice Chaves Marques, Adriano De Cezaro
{"title":"On a multi-fractional model for biogas production for a cellulose-based substrate","authors":"Marline Ilha da Silva,&nbsp;Joice Chaves Marques,&nbsp;Adriano De Cezaro","doi":"10.1007/s10910-024-01678-6","DOIUrl":"10.1007/s10910-024-01678-6","url":null,"abstract":"<div><p>This article describes the production of biogas in a cellulose-based substrate using a multifractional dynamic model. The objective is to give more precise depiction of the nonlinear characteristics of the chemical reactions involved in anaerobic digestion. In addition well-posedness and consistency, we present the sensitivity analysis used to determine which system equations follow non-integer order dynamics. We illustrate the efficacy of the model with numerical simulations that compare experimental data with the conventional model. The multifractional model’s outputs are in good agreement with the biogas production process’s overall response, which may lead to more effective control strategies.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"435 - 455"},"PeriodicalIF":1.7,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373176","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analysis of a general reaction–diffusion model using Lie symmetries and conservation laws
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-10-01 DOI: 10.1007/s10910-024-01679-5
Sol Sáez-Martínez
{"title":"Analysis of a general reaction–diffusion model using Lie symmetries and conservation laws","authors":"Sol Sáez-Martínez","doi":"10.1007/s10910-024-01679-5","DOIUrl":"10.1007/s10910-024-01679-5","url":null,"abstract":"<div><p>Turing’s model to explains the formation of patterns in morphogenesis considered a system of chemicals, termed morphogens, that react and diffuse through tissues. These reaction–diffusion systems can start homogeneously but later develop patterns due to instabilities triggered by random disturbances. Building on this foundation, Kepper realized the Chlorite-Iodide Malonic-Acid reaction, an example of an oscillatory reaction in a homogeneous solution that forms spatial patterns in a non-homogeneous environment. This work led to further studies, such as the Lengyel-Epstein reaction–diffusion model, which describes the dynamics of chemical concentrations of activator and inhibitor species. This paper extends these classical models by investigating a general reaction–diffusion system through the lens of Lie symmetries. We analyze the system using Lie point symmetry generators and Lie symmetry groups, enabling us to reduce the equations via these symmetries. Furthermore, we compute the conservation laws for the general reaction–diffusion model using the multipliers approach, involving dependent variables, independent variables, and their derivatives up to a certain order. By applying various symmetry groups, we derive new solutions from known ones, offering deeper insights into the dynamics of pattern formation in biological systems.\u0000</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"419 - 434"},"PeriodicalIF":1.7,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Bounds for the Gutman–Milovanović index and some applications
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-30 DOI: 10.1007/s10910-024-01677-7
Ana Granados, Ana Portilla, Yamilet Quintana, Eva Tourís
{"title":"Bounds for the Gutman–Milovanović index and some applications","authors":"Ana Granados,&nbsp;Ana Portilla,&nbsp;Yamilet Quintana,&nbsp;Eva Tourís","doi":"10.1007/s10910-024-01677-7","DOIUrl":"10.1007/s10910-024-01677-7","url":null,"abstract":"<div><p>In this paper, we examine the Gutman–Milovanović index and establish new upper and lower bounds for it. These bounds include terms related to the general sum connectivity index, the general second Zagreb index, and the hyperbolicity constant of the underlying graph. Also, we model physicochemical properties of polyaromatic hydrocarbons using the Gutman–Milovanović index.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"406 - 418"},"PeriodicalIF":1.7,"publicationDate":"2024-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10910-024-01677-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373348","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Stability analysis and dynamical behavior of optimal mean-based iterative methods
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-25 DOI: 10.1007/s10910-024-01674-w
Himani Sharma, Munish Kansal
{"title":"Stability analysis and dynamical behavior of optimal mean-based iterative methods","authors":"Himani Sharma,&nbsp;Munish Kansal","doi":"10.1007/s10910-024-01674-w","DOIUrl":"10.1007/s10910-024-01674-w","url":null,"abstract":"<div><p>In this work, we employed the techniques of complex dynamics to perform stability analysis of an optimal mean-based family of iterative methods of order four. Taking into consideration the stability aspect of the specified method, one can describe the method’s sensitivity to the initial guesses. A rational function corresponding to the iterative family is developed. The convergence and stability of a certain method can be analyzed upon finding the fixed points, critical points, periodic points, etc. of the rational function. Furthermore, the dynamical and parametric planes are drawn which help us to detect the stable as well as non-stable regions. It has been observed that stable iterative methods generally yield better performance on complex problems compared to unstable methods. This observation has been supported by numerical experiments that compare our proposed family with some existing methods for representing some chemistry problems, like conversion in a chemical reactor, equations of state, and continuous stirred tank reactor problem.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"383 - 405"},"PeriodicalIF":1.7,"publicationDate":"2024-09-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Path integral for the quartic oscillator: an accurate analytic formula for the partition function
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-20 DOI: 10.1007/s10910-024-01671-z
Michel Caffarel
{"title":"Path integral for the quartic oscillator: an accurate analytic formula for the partition function","authors":"Michel Caffarel","doi":"10.1007/s10910-024-01671-z","DOIUrl":"10.1007/s10910-024-01671-z","url":null,"abstract":"<div><p>In this work an approximate analytic expression for the quantum partition function of the quartic oscillator described by the potential <span>(V(x) = frac{1}{2} omega ^2 x^2 + g x^4)</span> is presented. Using a path integral formalism, the exact partition function is approximated by the partition function of a harmonic oscillator with an effective frequency depending both on the temperature and coupling constant <i>g</i>. By invoking a Principle of Minimal Sensitivity (PMS) of the path integral to the effective frequency, we derive a mathematically well-defined analytic formula for the partition function. Quite remarkably, the formula reproduces qualitatively and quantitatively the key features of the exact partition function. The free energy is accurate to a few percent over the entire range of temperatures and coupling strengths <i>g</i>. Both the harmonic (<span>(grightarrow 0)</span>) and classical (high-temperature) limits are exactly recovered. The divergence of the power series of the ground-state energy at weak coupling, characterized by a factorial growth of the perturbational energies, is reproduced as well as the functional form of the strong-coupling expansion along with accurate coefficients. Explicit accurate expressions for the ground- and first-excited state energies, <span>(E_0(g))</span> and <span>(E_1(g))</span> are also presented.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"353 - 382"},"PeriodicalIF":1.7,"publicationDate":"2024-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10910-024-01671-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143373319","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A first-rate fourteenth-order phase-fitting approach to solving chemical problems 解决化学问题的一流十四阶相位拟合方法
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-17 DOI: 10.1007/s10910-024-01668-8
Mei Hong, Chia-Liang Lin, T. E. Simos
{"title":"A first-rate fourteenth-order phase-fitting approach to solving chemical problems","authors":"Mei Hong,&nbsp;Chia-Liang Lin,&nbsp;T. E. Simos","doi":"10.1007/s10910-024-01668-8","DOIUrl":"10.1007/s10910-024-01668-8","url":null,"abstract":"<div><p>Using a technique that accounts for disappearing phase-lag might lead to the elimination of phase-lag and all of its derivatives up to order four. The new technique known as the <b>cost-efficient approach</b> aims to improve algebraic order (<i>AOR</i>) and decrease function evaluations (<i>FEvs</i>). The one-of-a-kind approach is shown by Equation <i>PF</i>4<i>DPHFITN</i>142<i>SPS</i>. This method is endlessly periodic since it is <b>P-Stable</b>. The proposed method may be used to solve many different types of periodic and/or oscillatory problems. This innovative method was used to address the difficult issue of Schrödinger-type coupled differential equations in quantum chemistry. The new technique might be seen as a cost-efficient solution since it only requires 5<i>FEvs</i> to execute each step. We are able to greatly ameliorate our current situation with an AOR of 14.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 1","pages":"297 - 331"},"PeriodicalIF":1.7,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142269933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mathematical modeling of hydrogen evolution by ({{{H}}}^{+}) and ({{{H}}}_{2}{{O}}) reduction at a rotating disk electrode: theoretical and numerical aspects 通过旋转盘电极上的 $${{{H}}^{+}$ 和 $${{{{H}}}_{2}{{O}}$ 还原进行氢演化的数学建模：理论和数值方面的问题
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-17 DOI: 10.1007/s10910-024-01675-9
K. V. Tamil Selvi, Navnit Jha, A. Eswari, L. Rajendran
{"title":"Mathematical modeling of hydrogen evolution by ({{{H}}}^{+}) and ({{{H}}}_{2}{{O}}) reduction at a rotating disk electrode: theoretical and numerical aspects","authors":"K. V. Tamil Selvi,&nbsp;Navnit Jha,&nbsp;A. Eswari,&nbsp;L. Rajendran","doi":"10.1007/s10910-024-01675-9","DOIUrl":"10.1007/s10910-024-01675-9","url":null,"abstract":"<div><p>This paper discusses mathematical model of hydrogen evolution via <span>({H}^{+})</span> and <span>({H}_{2}O)</span> reduction at a rotating disc electrode. Rotating disc electrodes are the preferred technology for analysing electrochemical processes in electrically powered cells and another rotating machinery, such as combustion engines, air compressors, gearboxes, and generators. The theory of nonlinear convection–diffusion equations provides the foundation for the model. In the present study, the Akbari-Ganji approach is utilised to solve, concurrently, the mass transport equations of <span>({H}^{+})</span> and <span>({OH}^{-})</span>  in the electrolyte and on the electrode surface under steady-state circumstances. A general and simple analytical expression is obtained for the reactants' hydrogen and hydroxide ion concentrations. Additionally, numerical solutions using non-standard finite difference methods are presented, and compared with the analytical solution. The exact solution for the limiting case results is presented and examined with the general results. Furthermore, the graphs and tables that compare the theoretical and numerical solutions demonstrated the accuracy and dependability of our paradigm.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 2","pages":"333 - 352"},"PeriodicalIF":1.7,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142262387","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
On the uniqueness of continuous and discrete hard models of NMR-spectra 论 NMR 光谱连续和离散硬模型的唯一性
IF 1.7 3区 化学
Journal of Mathematical Chemistry Pub Date : 2024-09-16 DOI: 10.1007/s10910-024-01673-x
Jan Hellwig, Klaus Neymeyr
{"title":"On the uniqueness of continuous and discrete hard models of NMR-spectra","authors":"Jan Hellwig,&nbsp;Klaus Neymeyr","doi":"10.1007/s10910-024-01673-x","DOIUrl":"10.1007/s10910-024-01673-x","url":null,"abstract":"<div><p>Lorentz, Gauss, Voigt and pseudo-Voigt functions play an important role in hard modeling of NMR spectra. This paper shows the uniqueness of continuous NMR hard models in terms of these functions by proving their linear independence. For the case of discrete hard models, where the spectra are represented by finite-dimensional vectors, criteria are given under which the models are also unique.\u0000</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 1","pages":"267 - 296"},"PeriodicalIF":1.7,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10910-024-01673-x.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142262389","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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