Journal of Non-Equilibrium Thermodynamics最新文献

筛选
英文 中文
Efficient ecological function analysis and multi-objective optimizations for an endoreversible simple air refrigerator cycle 内可逆简单空气制冷循环的高效生态功能分析和多目标优化
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-10-05 DOI: 10.1515/jnet-2024-0045
Zijian Xu, Yanlin Ge, Lingen Chen, Huijun Feng
{"title":"Efficient ecological function analysis and multi-objective optimizations for an endoreversible simple air refrigerator cycle","authors":"Zijian Xu, Yanlin Ge, Lingen Chen, Huijun Feng","doi":"10.1515/jnet-2024-0045","DOIUrl":"https://doi.org/10.1515/jnet-2024-0045","url":null,"abstract":"Combining finite time thermodynamics and exergetic analysis, analogous to the definition of ecological efficient power for heat engines, this paper proposes a unified performance indicator for various cycles, exergy-based efficient ecological function (<jats:italic>E</jats:italic> <jats:sub> <jats:italic>ɛ</jats:italic> </jats:sub>) which is defined as product of exergy-based ecological function and coefficient of performance, and introduces it into performance optimization of endoreversible simple air refrigerator cycle coupled to constant-temperature heat reservoirs. Relations among <jats:italic>E</jats:italic> <jats:sub> <jats:italic>ɛ</jats:italic> </jats:sub>, pressure ratio (<jats:italic>π</jats:italic>) and heat conductance distribution ratio (<jats:italic>u</jats:italic>) are derived by using numerical method. The cycle performance indicators which include cooling load (<jats:italic>R</jats:italic>), coefficient of performance (<jats:italic>ɛ</jats:italic>), and exergetic loss rate (<jats:italic>E</jats:italic> <jats:sub>out</jats:sub>/<jats:italic>T</jats:italic> <jats:sub>0</jats:sub>) under the different maximum objective criteria are compared. Taking <jats:italic>π</jats:italic> as optimal variable, and taking <jats:italic>R</jats:italic>, <jats:italic>ɛ</jats:italic>, cooling load density (<jats:italic>r</jats:italic>), <jats:italic>E</jats:italic> <jats:sub> <jats:italic>ɛ</jats:italic> </jats:sub> and their combinations as optimization objectives, multi-objective optimizations, totally 15 optimization combinations, are performed by using NASG-II algorithm. The results demonstrate that, the maximum <jats:italic>E</jats:italic> <jats:sub> <jats:italic>ɛ</jats:italic> </jats:sub> criteria can better reflect the compromise among <jats:italic>R</jats:italic>, <jats:italic>ɛ</jats:italic> and <jats:italic>E</jats:italic> <jats:sub>out</jats:sub>/<jats:italic>T</jats:italic> <jats:sub>0</jats:sub>. The Pareto solution sets are majorly distributed in 2.5–20 when quadru-objective optimizations are performed. The option selected by LINMAP decision-making method is closer to ideal solution when bi-objective optimization of <jats:italic>ɛ</jats:italic> and <jats:italic>r</jats:italic> is carried out.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"3 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-10-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142379266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel irreversibility modeling of non-homogeneous charged gas flow by solving Maxwell–Boltzmann PDEs system: irreversibility analysis for multi-component plasma 通过求解麦克斯韦-玻尔兹曼 PDEs 系统建立非均质带电气流的新型不可逆模型:多组分等离子体的不可逆分析
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-09-26 DOI: 10.1515/jnet-2024-0055
Taha Z. Abdel Wahid, Zaki Mrzog Alaofi
{"title":"Novel irreversibility modeling of non-homogeneous charged gas flow by solving Maxwell–Boltzmann PDEs system: irreversibility analysis for multi-component plasma","authors":"Taha Z. Abdel Wahid, Zaki Mrzog Alaofi","doi":"10.1515/jnet-2024-0055","DOIUrl":"https://doi.org/10.1515/jnet-2024-0055","url":null,"abstract":"A novel modeling and new irreversibility analysis of non-homogeneous charged gas flow is presented as an extension and further development of our previous article [J. Non-equilibrium. Thermodyne. 49 (2024), 1–21]. We study the non-equilibrium irreversible thermodynamics (NIT) properties of the exact solution to the dilute non-homogeneously charged gas problem with unsteady Rayleigh flow. In contrast to previous research, the charged gas is non-homogeneous under the influence of induced electromagnetic forces, the flat plate moving damping with time, and the effect of positive ions is considered, leading to significant advancements in understanding natural plasma dynamics. We are solving eight non-homogeneous partial differential equations (PDE). We used a Laplace transformation technique and small parameters methods. To the best of our knowledge, as two new scientific achievements, we introduced a new mathematical model for a mixture of charged gas to calculate the thermodynamic forces, kinetic coefficients, and fluxes variables, see Appendices. Second, we present a fantastic new technique by a flowchart to identify the equilibrium time of multi-component plasma step-by-step using the velocity distribution function (VDF). We indicate that electrons, which are faster lighter components, reach equilibrium faster than slower heavier components. A standard laboratory argon plasma model is used to apply the results.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"67 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-09-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142325015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Thermodynamics and dynamic stability: extended theories of heat conduction 热力学和动态稳定性:热传导的扩展理论
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-09-24 DOI: 10.1515/jnet-2024-0041
Réka Somogyfoki, Alessio Famá, Liliana Restuccia, Peter Ván
{"title":"Thermodynamics and dynamic stability: extended theories of heat conduction","authors":"Réka Somogyfoki, Alessio Famá, Liliana Restuccia, Peter Ván","doi":"10.1515/jnet-2024-0041","DOIUrl":"https://doi.org/10.1515/jnet-2024-0041","url":null,"abstract":"The stability of homogeneous thermodynamic equilibrium is analyzed in heat conduction theories in the framework of nonequilibrium thermodynamics, where the internal energy, the heat flux and a second order tensor are thermodynamic state variables. It is shown, that the thermodynamic conditions of concave entropy and nonnegative entropy production can ensure the linear stability. Various special heat conduction theories, including Extended Thermodynamics, are compared in the general framework.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"6 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142317728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Performance analysis of quantum harmonic Otto engine and refrigerator under a trade-off figure of merit 权衡利弊下的量子谐波奥托发动机和制冷机性能分析
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-08-28 DOI: 10.1515/jnet-2024-0034
Kirandeep Kaur, Shishram Rebari, Varinder Singh
{"title":"Performance analysis of quantum harmonic Otto engine and refrigerator under a trade-off figure of merit","authors":"Kirandeep Kaur, Shishram Rebari, Varinder Singh","doi":"10.1515/jnet-2024-0034","DOIUrl":"https://doi.org/10.1515/jnet-2024-0034","url":null,"abstract":"We investigate the optimal performance of the quantum Otto engine and refrigeration cycles of a time-dependent harmonic oscillator under a trade-off figure of merit for both adiabatic and nonadiabatic (sudden-switch) frequency modulations. For heat engines (refrigerators), the chosen trade-off figure of merit is an objective function defined by the product of efficiency (coefficient of performance) and work output (cooling load), thus representing a compromise between them. We obtain analytical expressions for the efficiency and coefficient of performance of the harmonic Otto cycle for the optimal performance of the thermal machine in various operational regimes. Particularly, in the sudden-switch regime, we discuss the implications of the nonadiabatic driving on the performance of the thermal machine under consideration and obtain analytic expressions for the maximum achievable efficiency and coefficient of performance of the harmonic Otto thermal machine. Particularly, we show that the quantum harmonic Otto cycle driven by sudden-switch protocol cannot work as a heat engine or refrigerator in the low-temperature limit. Finally, we show that in the high-temperature limit, the frictional effects give rise to a richer structure of the phase diagram of the harmonic Otto cycle. We identify the parametric regime for the operation of the Otto cycle as a heat engine, refrigerator, accelerator, and heater.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"5 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142090068","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of the operating characteristics of diesel engines with chromium oxide (Cr2O3) nanoparticles dispersed in Mesua ferrea biodiesel: an experimental and predictive approach using ANNs and RSM 研究在梅苏阿魏生物柴油中分散了纳米氧化铬 (Cr2O3) 的柴油发动机的运行特性:使用 ANNs 和 RSM 的实验和预测方法
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-08-16 DOI: 10.1515/jnet-2024-0021
Jagadish Kari, Vanthala Varaha Siva Prasad, Jaikumar Sagari
{"title":"Investigation of the operating characteristics of diesel engines with chromium oxide (Cr2O3) nanoparticles dispersed in Mesua ferrea biodiesel: an experimental and predictive approach using ANNs and RSM","authors":"Jagadish Kari, Vanthala Varaha Siva Prasad, Jaikumar Sagari","doi":"10.1515/jnet-2024-0021","DOIUrl":"https://doi.org/10.1515/jnet-2024-0021","url":null,"abstract":"This study investigates the effects of using biodiesel from <jats:italic>Mesua ferrea</jats:italic> (BD20) and chromium oxide (Cr<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub>) nanoparticles in diesel engines. The Response Surface Methodology (RSM) model and artificial neural networks (ANNs) were developed to make precise predictions of the operating parameters. The amount of Cr<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> nanoparticles was set at 80 mg/L, and surfactant and dispersant were applied to the nanoparticles in the same amounts. The study was carried out with different compression ratios and load conditions. The parameters evaluated were engine load, fuel samples and compression ratio as inputs and BTE, BSFC, CP, NHRR, CO, UHC, NO<jats:sub> <jats:italic>x</jats:italic> </jats:sub> and smoke opacity as outputs. The addition of the QPAN80 additive at the same dosage of 80 mg/L together with the BD20 fuel blend containing Cr<jats:sub>2</jats:sub>O<jats:sub>3</jats:sub> at a concentration of 80 mg/L resulted in a significant increase in BTE by 16.58 % and a reduction in BSFC by 0.58 %. While the NHRR increased by 85.40 %, the CP increased sharply by 24.47 %. The CO concentration decreased by 31.85 %, the UHC concentration by 22.22 %, the NO<jats:sub> <jats:italic>x</jats:italic> </jats:sub> concentration by 6.16 % and the smoke emission by 62.61 %. For each output parameter, the correlation coefficient (<jats:italic>R</jats:italic> <jats:sup>2</jats:sup>), calculated using ANNs and RSM was between 0.96 and 0.98. The observed range of values demonstrates a robust correlation between the experimental data and the predicted outcomes.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"23 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141994468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analytical solutions for nonequilibrium bioheat transfer in tumor during magnetic nanoparticles hyperthermia 磁性纳米粒子热疗过程中肿瘤内非平衡生物传热的分析解决方案
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-07-23 DOI: 10.1515/jnet-2024-0035
Zuhur Alqahtani, Ibrahim Abbas
{"title":"Analytical solutions for nonequilibrium bioheat transfer in tumor during magnetic nanoparticles hyperthermia","authors":"Zuhur Alqahtani, Ibrahim Abbas","doi":"10.1515/jnet-2024-0035","DOIUrl":"https://doi.org/10.1515/jnet-2024-0035","url":null,"abstract":"This paper presents mathematical responses for the dual-phase-lag (DPL) hypothesis, which accounts for nonequilibrium heat transfer during magnetic nanoparticle hyperthermia in tumor. To get this precision, volume averaging is used for the local instantaneous energy formulation for tissues and blood. This study proposes a hybrid numerical strategy to solve this problem by combining change of variables, improved discretization techniques, and Laplace transforms. Using the Arrhenius formulas, the range of denatured proteins is used to assess the degree of heat damages to the tumor and healthy tissues. The impacts of porosity, the blood perfusion and metabolism on the temperature and the thermal injuries are studied. The numerical estimations of temperature and the resulting of thermal injuries are shown on a graph, and a comparison with earlier research establishes the results’ validity.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"80 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141755075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Composite liquids under high-power heating: superheat of water in micro-explosion of water-in-fuel droplets 大功率加热下的复合液体:水包水燃料液滴微爆炸中的水过热现象
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-07-23 DOI: 10.1515/jnet-2024-0017
Alexey Melkikh, Pavel Skripov
{"title":"Composite liquids under high-power heating: superheat of water in micro-explosion of water-in-fuel droplets","authors":"Alexey Melkikh, Pavel Skripov","doi":"10.1515/jnet-2024-0017","DOIUrl":"https://doi.org/10.1515/jnet-2024-0017","url":null,"abstract":"The article analyses the degree of water superheating with respect to the liquid-vapour equilibrium line in experiments on the micro-explosion of a composite droplet comprised of two immiscible liquids. The analyses were carried out for water-in-fuel drops under conditions of high-power heating. This degree is compared with the mechanical effect of droplet decay, involving the formation of daughter droplets. Our attention was drawn to the smallness of the degree of superheating preceding the decay. A model of the boiling up of such a droplet is constructed taking into account the sources of premature boiling up of water inherent in micro-explosive experiments. The dependencies of the boiling up temperature of water on the heating rate obtained in the model turned out to be in accordance with the experimental data across a wide range of heating rates. A hypothesis about the local superheating of the transition layer, which is not detected in the experiment, is formulated. Thus, a step has been taken to clarify the essence of the mismatch of the degree of superheating of water recorded by macroscopic equipment along with a completely satisfactory generation of daughter droplets serving as the basis for advanced fuel technology.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"51 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141755085","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of a three-laser optical digital interferometry in a thermogravitational analysis for binary and ternary mixtures 三激光光学数字干涉仪在二元和三元混合物热重分析中的应用
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-07-16 DOI: 10.1515/jnet-2023-0126
Ane Errarte, Antton Sanjuan, Aliaksandr Mialdun, Marcos Alonso, Imanol Andonegui, Valentina Shevtsova, M. Mounir Bou-Ali
{"title":"Application of a three-laser optical digital interferometry in a thermogravitational analysis for binary and ternary mixtures","authors":"Ane Errarte, Antton Sanjuan, Aliaksandr Mialdun, Marcos Alonso, Imanol Andonegui, Valentina Shevtsova, M. Mounir Bou-Ali","doi":"10.1515/jnet-2023-0126","DOIUrl":"https://doi.org/10.1515/jnet-2023-0126","url":null,"abstract":"We discuss the application of the three-laser optical digital interferometry method for the determination of transport properties such as the thermodiffusion, the molecular diffusion and the Soret coefficients by the thermogravitational column technique. The primary objective of this study is to illustrate the capabilities and limitations of the method for quantifying these properties in both binary and ternary liquid mixtures from an optical viewpoint. It is concluded that the system is highly robust for the analysis of binary mixtures, with the combination of the results obtained by the three wavelengths increasing the accuracy of the measurement. The study of ternary mixtures, on the contrary, is limited to certain types of conditions. While the accuracy of a three-laser interferometer can be improved, the method may be compromised if the optical contrast factor matrices are poorly conditioned.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"240 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631399","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mass transfer at vapor-liquid interfaces of H2O + CO2 mixtures studied by molecular dynamics simulation 通过分子动力学模拟研究 H2O + CO2 混合物汽液界面的传质问题
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-07-16 DOI: 10.1515/jnet-2024-0010
Simon Stephan, Vilde Bråten, Hans Hasse
{"title":"Mass transfer at vapor-liquid interfaces of H2O + CO2 mixtures studied by molecular dynamics simulation","authors":"Simon Stephan, Vilde Bråten, Hans Hasse","doi":"10.1515/jnet-2024-0010","DOIUrl":"https://doi.org/10.1515/jnet-2024-0010","url":null,"abstract":"In many industrial applications as well as in nature, the mass transfer of CO<jats:sub>2</jats:sub> at vapor-liquid interfaces in aqueous systems plays an important role. In this work, this process was studied on the atomistic level using non-equilibrium molecular dynamics simulations. In a first step, a molecular model of the system water + CO<jats:sub>2</jats:sub> was developed that represents both bulk and interfacial equilibrium properties well. This system is characterized by a very large adsorption and enrichment of CO<jats:sub>2</jats:sub> at the vapor-liquid interface. Then, non-equilibrium mass transfer simulations were carried out using a method that was developed recently: CO<jats:sub>2</jats:sub> is inserted into the vapor phase of a simulation box which contains a liquid slab. Surprising effects are observed at the interface such as a net repulsion of CO<jats:sub>2</jats:sub> particles from the interface and a complex time dependence of the amount of CO<jats:sub>2</jats:sub> adsorbed at the interface.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"26 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-07-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141631476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Generalized energy-conserving dissipative particle dynamics with mass transfer: coupling between energy and mass exchange 具有质量转移的广义能量守恒耗散粒子动力学:能量和质量交换之间的耦合
IF 6.6 3区 工程技术
Journal of Non-Equilibrium Thermodynamics Pub Date : 2024-05-30 DOI: 10.1515/jnet-2023-0129
Giuseppe Colella, Allan D. Mackie, James P. Larentzos, John K. Brennan, Martin Lísal, Josep Bonet Avalos
{"title":"Generalized energy-conserving dissipative particle dynamics with mass transfer: coupling between energy and mass exchange","authors":"Giuseppe Colella, Allan D. Mackie, James P. Larentzos, John K. Brennan, Martin Lísal, Josep Bonet Avalos","doi":"10.1515/jnet-2023-0129","DOIUrl":"https://doi.org/10.1515/jnet-2023-0129","url":null,"abstract":"The complete description of energy and material transport within the Generalized energy-conserving dissipative particle dynamics with mass transfer (GenDPDE-M) methodology is presented. In particular, the dynamic coupling between mass and energy is incorporated into the GenDPDE-M, which was previously introduced with dynamically decoupled fluxes (J. Bonet Avalos et al., <jats:italic>J. Chem. Theory Comput.</jats:italic>, 18 (12): 7639–7652, 2022). From a theoretical perspective, we have derived the appropriate Fluctuation-Dissipation theorems along with Onsager’s reciprocal relations, suitable for mesoscale models featuring this coupling. Equilibrium and non-equilibrium simulations are performed to demonstrate the internal thermodynamic consistency of the method, as well as the ability to capture the Ludwig–Soret effect, and tune its strength through the mesoscopic parameters. In view of the completeness of the presented approach, GenDPDE-M is the most general Lagrangian method to deal with complex fluids and systems at the mesoscale, where thermal agitation is relevant.","PeriodicalId":16428,"journal":{"name":"Journal of Non-Equilibrium Thermodynamics","volume":"20 1","pages":""},"PeriodicalIF":6.6,"publicationDate":"2024-05-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141182431","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信