Publication Cover
Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 99, 2001 - Issue 8
1,452
Views
316
CrossRef citations to date
0
Altmetric
Original Articles

Inadequacy of the Lorentz-Berthelot combining rules for accurate predictions of equilibrium properties by molecular simulation

&
Pages 619-625 | Received 28 Sep 2000, Accepted 08 Nov 2000, Published online: 16 Nov 2009

Keep up to date with the latest research on this topic with citation updates for this article.

Read on this site (21)

Longyan Zhang, Yin Yang & Jianing Han. (2024) Microscopic mechanism of effects of nanostructure morphology on bubble nucleation: A molecular dynamics simulation. Numerical Heat Transfer, Part A: Applications 85:2, pages 187-202.
Read now
Qu Chen, Mahinder Ramdin & Thijs J. H. Vlugt. (2023) Solubilities of CO2, CH4, C2H6, CO, H2, N2, N2O, and H2S in commercial physical solvents from Monte Carlo simulations. Molecular Simulation 49:13-14, pages 1341-1349.
Read now
Soumil Y. Joshi & Sanket A. Deshmukh. (2021) A review of advancements in coarse-grained molecular dynamics simulations. Molecular Simulation 47:10-11, pages 786-803.
Read now
Y. Y. Chen, K. L. Xiao, J. Z. Yue, Q. Y. Yin, X. Q. Wu & C. G. Huang. (2021) Atomistic study on the anomalous temperature-dependent dynamic tensile strength of ice under shock loading. Philosophical Magazine 101:11, pages 1289-1304.
Read now
Robert A. Skutnik, Louis Lehmann, Sergej Püschel-Schlotthauer, George Jackson & Martin Schoen. (2019) The formation of biaxial nematic phases in binary mixtures of thermotropic liquid-crystals composed of uniaxial molecules. Molecular Physics 117:20, pages 2830-2845.
Read now
Mauricio García-Martínez, Benjamin Ibarra-Tandi, Daniel Porfirio Luis-Jimenez & Jorge López-Lemus. (2019) Surface tension of oxygen–nitrogen mixture: molecular simulation. Molecular Simulation 45:12, pages 958-966.
Read now
Xumiao Zhou, Zejun Su, Houyang Chen, Xingqing Xiao, Yuanhang Qin, Li Yang, Zhiguo Yan & Wei Sun. (2018) Capture of pure toxic gases through porous materials from molecular simulations. Molecular Physics 116:15-16, pages 2095-2107.
Read now
Yujie Chen, Yu Zou, Bo Yu, Dongliang Sun & Xuejiao Chen. (2018) Effects of Surface Wettability on Rapid Boiling and Bubble Nucleation: A Molecular Dynamics Study. Nanoscale and Microscale Thermophysical Engineering 22:3, pages 198-212.
Read now
Nikolaos I. Papadimitriou, Ioannis N. Tsimpanogiannis, Ioannis G. Economou & Athanassios K. Stubos. (2014) Influence of combining rules on the cavity occupancy of clathrate hydrates by Monte Carlo simulations. Molecular Physics 112:17, pages 2258-2274.
Read now
Yi-Min Ma, Hui Zhang & Bing-Jian Zhang. (2014) Structure of sodium sulphate aqueous solution/quartz interface: a molecular dynamics simulation. Molecular Simulation 40:7-9, pages 634-639.
Read now
T. Aleksandrov, C. Desgranges & J. Delhommelle. (2012) Numerical estimate for boiling points via Wang–Landau simulations. Molecular Simulation 38:14-15, pages 1265-1270.
Read now
Suren Moodley, Erik Johansson, Kim Bolton & Deresh Ramjugernath. (2012) Phase-dependent energy cross-parameters in a monatomic binary fluid system. Molecular Simulation 38:10, pages 838-849.
Read now
K. Ndumbe Ngale, C. Desgranges & J. Delhommelle. (2012) Wang–Landau configurational bias Monte Carlo simulations: vapour–liquid equilibria of alkenes. Molecular Simulation 38:8-9, pages 653-658.
Read now
Ioannis N. Tsimpanogiannis, Nikolaos I. Papadimitriou & Athanassios K. Stubos. (2012) On the limitation of the van der Waals-Platteeuw-based thermodynamic models for hydrates with multiple occupancy of cavities. Molecular Physics 110:11-12, pages 1213-1221.
Read now
H. Rezaei Nejad, M. Ghassemi, S.M. Mirnouri Langroudi & A. Shahabi. (2011) A molecular dynamics study of nano-bubble surface tension. Molecular Simulation 37:1, pages 23-30.
Read now
C. Desgranges, J.M. Hicks, A. Magness & J. Delhommelle. (2010) Phase equilibria of polyaromatic hydrocarbons by hybrid Monte Carlo Wang–Landau simulations. Molecular Physics 108:2, pages 151-158.
Read now
Jadran Vrabec, Jürgen Stoll & Hans Hasse. (2005) Molecular models of unlike interactions in fluid mixtures. Molecular Simulation 31:4, pages 215-221.
Read now
Philippe Ungerer, Aurélie Wender, Grégoire Demoulin, Émeric Bourasseau & Pascal Mougin. (2004) Application of Gibbs Ensemble and NPT Monte Carlo Simulation to the Development of Improved Processes for H2S-rich Gases. Molecular Simulation 30:10, pages 631-648.
Read now
Zhenyu Wang, Zheng Cui, Wei Shao & Qun Cao. Molecular dynamics study of bubble nucleation on trigonometric nanostructured surfaces. Numerical Heat Transfer, Part A: Applications 0:0, pages 1-15.
Read now

Articles from other publishers (295)

Jiasheng Song, Lang Liu, Shouyin Cai & Li Shi. (2024) Molecular dynamics simulations of interfacial resistance of gases transport through MOF HKUST-1. Chemical Engineering Science 294, pages 120102.
Crossref
Wenbin Zhou, Yanke Hu, Hualin Ma, Yangbin Zou, Liang Yu & Guodong Xia. (2024) Effect of nanocavity geometry on nanoscale nucleate boiling heat transfer. International Journal of Heat and Mass Transfer 225, pages 125426.
Crossref
Léo Bricotte, Kamel Chougrani, Valérie Alard, Vincent Ladmiral & Sylvain Caillol. (2024) Adhesion theories: A didactic review about a century of progress. International Journal of Adhesion and Adhesives 132, pages 103673.
Crossref
Ming Ma, Xiaohui Zhang, Shan Qing & Hua Wang. (2024) Wettability-dependent thermal transport at the Fe nanoparticle-water interface: Molecular dynamics simulations. Journal of Molecular Liquids 402, pages 124717.
Crossref
Shouyin Cai, Lin Yu, Erguang Huo, Yunxiu Ren, Xiangdong Liu & Yongping Chen. (2024) Adsorption and Diffusion Properties of Functionalized MOFs for CO 2 Capture: A Combination of Molecular Dynamics Simulation and Density Functional Theory Calculation . Langmuir 40:13, pages 6869-6877.
Crossref
Muhammed Murat Aksoy & Yildiz Bayazitoglu. (2024) Contact Angles of Water on Different Metals. Journal of Thermophysics and Heat Transfer 38:2, pages 305-309.
Crossref
Halla Kerkache, Hai Hoang, Pierre Cézac, Guillaume Galliéro & Salaheddine Chabab. (2024) The solubility of H2 in NaCl brine at high pressures and high temperatures: Molecular simulation study and thermodynamic modeling. Journal of Molecular Liquids 400, pages 124497.
Crossref
Hengguang Cao, Zhaoxi Wang, Yuming Shi, Xuewen Cao, Weihua Cai & Jiang Bian. (2024) Enhancing carbon capture: Exploring droplet wetting and gas condensation of carbon dioxide on nanostructured surfaces. Journal of Cleaner Production, pages 142343.
Crossref
Jiabin You, Huiyuan Li, Yong Feng, Xiaojing Cheng, Liuxuan Luo, Daihui Yang, Guanghua Wei, Shuiyun Shen, Xiaohui Yan & Junliang Zhang. (2024) Insight into oxygen diffusion mechanism in ionomer film on catalyst surface with varying perfluorosulfonic acid and water contents. Journal of Materials Chemistry A 12:12, pages 7248-7256.
Crossref
Yuto Lewis Terashima, Paul Edward Brumby, Takahiro Murashima, Varvara Kouznetsova & Mayu Muramatsu. (2024) Fine-scale structural stability of carbon dioxide hydrate pellets under coarse-scale deformation using multi-scale coupled FEM-MD simulations. Materials Today Communications 38, pages 108322.
Crossref
Yiyu Li, Yaming Fan, Minfeng Zheng, Lili Li & Sherman C.P. Cheung. (2024) Molecular dynamics study on heterogeneous nucleation mechanism: Plausible nanobubble coalescence pathway. Case Studies in Thermal Engineering 55, pages 104180.
Crossref
Mingrui Wei, Shuwen Yang, Guanlun Guo, Bo Yuan, Sheng Wu, Hongling Ju & Zhaowen Wang. (2024) Experimental and molecular dynamics study on micro-explosion of water-in-diesel droplets in the presence of solid nanoparticles. Applied Thermal Engineering 241, pages 122334.
Crossref
Yun Ji Kang, Tae Woo Kwon & Man Yeong Ha. (2024) Investigation of the behavior of water and oil droplets on nanostructured surfaces: a molecular dynamics simulation study. Journal of Mechanical Science and Technology 38:3, pages 1249-1257.
Crossref
Xinping Chen. (2024) The adsorption and desorption processes of organic working fluids R1234yf, R134a, R32 in MOF-5 and Co-MOF-74: a molecular simulation study. Frontiers in Energy Research 12.
Crossref
Rasoul Fallahzadeh, Fabio Bozzoli, Luca Cattani & Muhammad Waheed Azam. (2024) Effect of Cross Nanowall Surface on the Onset Time of Explosive Boiling: A Molecular Dynamics Study. Energies 17:5, pages 1107.
Crossref
Yunmin Ran & Volfango Bertola. (2024) Achievements and Prospects of Molecular Dynamics Simulations in Thermofluid Sciences. Energies 17:4, pages 888.
Crossref
Xianqiang Deng, Xiaoxiao Xu, Yongfang Huang, Yongxiang Duan, Chao Liu & Chaobin Dang. (2024) A novel constant pressure control method for nucleation boiling of CO2/lubricant in molecular dynamics simulation. International Journal of Refrigeration 158, pages 35-46.
Crossref
Kofi Ofori, Ahmed Barifcani & Chi M. Phan. (2024) A brief juxtaposition of the effects of combining rules on acid gas geosequestration at a constant temperature. Geoenergy Science and Engineering 233, pages 212536.
Crossref
Chunlei Wu, Qing Wang, Xinmin Wang, Shipeng Sun, Jingru Bai, Da Cui, Shuo Pan & Hongyu Sheng. (2024) Effect of Al2O3 nanoparticle dispersion on the thermal properties of a eutectic salt for solar power applications: Experimental and molecular simulation studies. Energy 288, pages 129785.
Crossref
Zhanping You, Menghan Cheng, Changjie Ma, Yufei Xiao, Xuemin Zhao, Camila Barreneche & Xiaohui She. (2024) Molecular dynamics simulation of temperature and concentration distribution at liquid-gas interface during liquid air storage process. Energy and Built Environment.
Crossref
Jianyi Liu, Yimin Wen, Lu Jiang, Hua Yuan, Zhibin Liu, Zhengwei Shui, Boyuan Wang & Xiaojie Yan. (2024) Molecular dynamics simulation of micro mechanisms of gas and water migration and diffusion in shale reservoirs. Colloids and Surfaces A: Physicochemical and Engineering Aspects 682, pages 132865.
Crossref
R Fallahzadeh, F Bozzoli & L Cattani. (2024) Effect of closed-loop nanochannels on the onset of explosive boiling: a molecular dynamics simulation study. Journal of Physics: Conference Series 2685:1, pages 012013.
Crossref
Chenyi Qian, Binbin Yu, Zhenhong Ye, Junye Shi & Jiangping Chen. (2024) Molecular dynamics simulation of interfacial heat transfer characteristics of CO2, R32 and CO2/R32 binary zeotropic mixture on a smooth substrate. International Journal of Refrigeration 157, pages 186-198.
Crossref
Bladimir Ramos-Alvarado, C. Ulises Gonzalez-Valle & Luis E. Paniagua-Guerra. 2024. Encyclopedia of Solid-Liquid Interfaces. Encyclopedia of Solid-Liquid Interfaces 268 286 .
Richard J. Sadus. 2024. Molecular Simulation of Fluids. Molecular Simulation of Fluids 51 116 .
Thomas A. Manz. 2024. Comprehensive Computational Chemistry. Comprehensive Computational Chemistry 362 405 .
Vahid Ahmadi, Aria H. Fahim, Sajad Jabari Neek & Hojat Ghassemi. (2023) Molecular dynamic simulation of light alkanes flash evaporation. Thermal Science and Engineering Progress 46, pages 102211.
Crossref
Huiyuan Li, Jiabin You, Yong Feng, Xiaohui Yan, Jiewei Yin, Liuxuan Luo, Miaomiao He, Xiaojing Cheng, Shuiyun Shen & Junliang Zhang. (2023) Comprehensive understanding of oxygen transport at Gas/ionomer/electrocatalyst triple phase boundary in PEMFCs. Chemical Engineering Journal 478, pages 147454.
Crossref
Almaz Khabibrakhmanov, Dmitry V. Fedorov & Alexandre Tkatchenko. (2023) Universal Pairwise Interatomic van der Waals Potentials Based on Quantum Drude Oscillators. Journal of Chemical Theory and Computation 19:21, pages 7895-7907.
Crossref
Lili Li, Xiangdong Li, Ivan Cole & Sherman C. P. Cheung. (2023) A Molecular Dynamics Study on Nanobubble Coalescence Events in Heterogeneous Nucleation on a Hydrophilic Surface. Industrial & Engineering Chemistry Research 62:42, pages 16949-16957.
Crossref
Liming Guo, Ling Pan & Zhi Li. (2023) Study on the Sliding Tribological Behavior of Oleic Acid-Modified MoS 2 under Boundary Lubrication . Langmuir 39:41, pages 14562-14572.
Crossref
Qing-Xiang Pei, Jun-Yan Guo, Ady Suwardi & Gang Zhang. (2023) Insights into Interfacial Thermal Resistance in Bi 2 Te 3 /Graphene Composites for Thermoelectric Applications . The Journal of Physical Chemistry C 127:39, pages 19796-19804.
Crossref
Hengguang Cao, Xuewen Cao, Weihua Cai, Xiangyang Zhao, Dan Guo, Gaoya Ding, Yang Liu & Jiang Bian. (2023) Exploring the effect of surface wettability on heterogeneous condensation of carbon Dioxide: A molecular dynamics study. Journal of Molecular Liquids 388, pages 122693.
Crossref
Wei Liu, Nan Wang, Jun Chen, Aijing Shen & Fu Liang. (2023) Desorption properties of the R600, R134a and their mixtures in several MOF structures: A molecular dynamics study. Heliyon 9:10, pages e20774.
Crossref
Jiayi Chen, Johannes Nokelainen, Bernardo Barbiellini & Hemantha Kumar Yeddu. (2023) Nanoscale phenomena during wetting of copper on nickel-based superalloy: A molecular dynamics study. Computational Materials Science 230, pages 112453.
Crossref
Tandrima Banerjee & Abhijit Samanta. (2023) Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery. Physical Sciences Reviews 8:9, pages 2143-2172.
Crossref
Esmat Mohammadi, Soumil Y. Joshi & Sanket A. Deshmukh. (2023) Development, Validation, and Applications of Nonbonded Interaction Parameters between Coarse-Grained Amino Acid and Water Models. Biomacromolecules 24:9, pages 4078-4092.
Crossref
Yuanyuan Kang, Kun Cai, Jiao Shi, Yangjun Luo & Yingyan Zhang. (2023) CNT-based nanogun triggered by an electric field. Computational Materials Science 228, pages 112305.
Crossref
Nikolaos Patsalidis, George Papamokos, George Floudas & Vagelis Harmandaris. (2023) Structure and Dynamics of a Polybutadiene Melt Confined between Alumina Substrates. Macromolecules 56:16, pages 6552-6564.
Crossref
Victor Teboul. (2023) Dynamic phase transition induced by active molecules in a supercooled liquid. Physical Review E 108:2.
Crossref
Wei Zhang, Jianyi Liu, Yuzhu Xu, Yimin Wen, Hua Yuan & Zhibin Liu. (2023) Molecular dynamics simulation of the diffusion crystallization mechanism of the binary alkane mixture nC5H12–nC24H50 under the water-wetting condition of a pipe wall. Chemical Physics Letters 825, pages 140569.
Crossref
Ruihan Zhou, Marc Riera & Francesco Paesani. (2023) Toward Data-Driven Many-Body Simulations of Biomolecules in Solution: N -Methyl Acetamide as a Proxy for the Protein Backbone . Journal of Chemical Theory and Computation 19:13, pages 4308-4321.
Crossref
Liang Liu, Zhengxiong Su, Yifan Du, Yuxing Li, Hui Han, Jianlu Zhu & Chongzheng Sun. (2023) Molecular dynamics study on the enhancement of heterogeneous nucleate boiling of mixed liquid on superhydrophilic surfaces. Applied Thermal Engineering 230, pages 120724.
Crossref
Basil Wadi, Ayub Golmakani, Tohid N.Borhani, Vasilije Manovic & Seyed Ali Nabavi. (2023) Molecular Simulation Techniques as Applied to Silica and Carbon-Based Adsorbents for Carbon Capture. Energies 16:13, pages 5013.
Crossref
Kompichit Seehamart, Wutthikrai Busayaporn & Rungroj Chanajaree. (2023) Molecular adsorption and self-diffusion of NO 2 , SO 2 , and their binary mixture in MIL-47(V) material . RSC Advances 13:28, pages 19207-19219.
Crossref
. (2023) Phase distribution in nanochannels of supercritical fluid with different fluid–wall interactions. Physics of Fluids 35:6.
Crossref
Jiasheng Song, Lang Liu & Shouyin Cai. (2023) Water desalination through FAU zeolite studied by using molecular dynamics simulations. Journal of Molecular Liquids 380, pages 121683.
Crossref
Jiabin You, Zhifeng Zheng, Xiaojing Cheng, Huiyuan Li, Cehuang Fu, Liuxuan Luo, Guanghua Wei, Shuiyun Shen, Xiaohui Yan & Junliang Zhang. (2023) Insight into Oxygen Transport in Solid and High-Surface-Area Carbon Supports of Proton Exchange Membrane Fuel Cells. ACS Applied Materials & Interfaces 15:17, pages 21457-21466.
Crossref
S. González-Tortuero, M.A. Garrido & J. Rodríguez. (2023) An adhesion study in Ni and Cu nanocontacts from a molecular dynamics perspective. European Journal of Mechanics - A/Solids 99, pages 104942.
Crossref
Marina P. Oliveira & Philippe H. Hünenberger. (2023) Influence of the Lennard-Jones Combination Rules on the Simulated Properties of Organic Liquids at Optimal Force-Field Parametrization. Journal of Chemical Theory and Computation 19:7, pages 2048-2063.
Crossref
Jiao Shi, Xin Zhou, Pan Jia & Kun Cai. (2023) Ion Separation Together with Water Purification via a New Type of Nanotube: A Molecular Dynamics Study. International Journal of Molecular Sciences 24:7, pages 6677.
Crossref
Liusheng Wang, Weiliang Cao, Zhaoxu Wang & Baishu Zheng. (2023) Computer-aided Screening of High Performance Covalent-Organic Frameworks for Removal of SO2 from Flue Gases. Fluid Phase Equilibria 567, pages 113710.
Crossref
Sarah A. M. Loos, Saeed Arabha, Ali Rajabpour, Ali Hassanali & Édgar Roldán. (2023) Nonreciprocal forces enable cold-to-hot heat transfer between nanoparticles. Scientific Reports 13:1.
Crossref
Maryam Hamzeh J.Masumeh Foroutan. (2023) Investigating the dynamic behavior of the nano-bubble in two-phase systems of argon and water: A molecular dynamics simulation approach. Results in Engineering 17, pages 100977.
Crossref
Yu-Jie Chen, Wei Lu, Bo Yu, Wen-Quan Tao, Wenjing Zhou & Qun Cao. (2023) A revised Lennard-Jones potential for bubble nucleation study of argon based on the molecular dynamics simulation method. Journal of Molecular Liquids 371, pages 121094.
Crossref
Marcelo M. Pirete, Cassiano G. Aimoli & Lucienne L. Romanielo. (2023) Force field comparison and thermodynamic property calculations for the phase behavior of H2S+CO2 using Monte Carlo simulations. Fluid Phase Equilibria 565, pages 113663.
Crossref
Nan Li, Jing Jiang, M.Y. Yang, Hao Wang, Yuan Ma, Zhe Li & G.H. Tang. (2023) Anti-icing mechanism of combined active ethanol spraying and passive surface wettability. Applied Thermal Engineering 220, pages 119805.
Crossref
Ryuji TAKAHASHI, Nobuyuki TSUBOI, Takashi TOKUMASU & Shin-ichi TSUDA. (2023) Validation of Soave–Redlich–Kwong equation of state coupled with a classical mixing rule for sound speed of non-ideal gas mixture of oxygen-hydrogen as liquid rocket propellants. Journal of Thermal Science and Technology 18:1, pages 22-00365-22-00365.
Crossref
Bing Wang, Rong Luo, Qian Wang & Haidong Liu. (2023) Atomistic study on the nano-scratch mechanism of CoCrFeMnNi high-entropy alloy at different morphology densities. Materials Research Express 10:1, pages 016503.
Crossref
Jing Ding, Fengchun Gong, Senfeng Yang, Weilong Wang, Shule Liu & Jianfeng Lu. (2023) Microstructure and thermal properties of NaCl–ZnCl2 molten salt by molecular dynamics simulation and experiment. Solar Energy Materials and Solar Cells 250, pages 112108.
Crossref
Qing-Xiang Pei, Jun-Yan Guo, Ady Suwardi & Gang Zhang. (2023) Insights into interfacial thermal conductance in Bi2Te3-based systems for thermoelectrics. Materials Today Physics 30, pages 100953.
Crossref
Xianqiang Deng, Xiaoxiao Xu, Xiang Song, Qibin Li & Chao Liu. (2023) Boiling heat transfer of CO2/lubricant on structured surfaces using molecular dynamics simulations. Applied Thermal Engineering 219, pages 119682.
Crossref
Lin Shi, Chengzhi Hu, Changli Yi, Minli Bai, Jizu Lyu & Linsong Gao. (2023) A study of how solid–liquid interactions affect flow resistance and heat transfer at different temperatures based on molecular dynamics simulations. Physical Chemistry Chemical Physics 25:1, pages 813-821.
Crossref
Na Li, Zemeng Feng, Huijuan Lin, Jixin Zhu & Kui Xu. (2023) Accelerating filtration by introducing an oscillation paradigm and its atomistic origin. Journal of Materials Chemistry A 11:1, pages 297-304.
Crossref
Jiabin You, Xiaojing Cheng, Huiyuan Li, Jiewei Yin, Xiaohui Yan, Guanghua Wei, Shuiyun Shen & Junliang Zhang. (2022) Innovative Insight into O 2 /N 2 Permeation Behavior through an Ionomer Film in Cathode Catalyst Layers of Polymer Electrolyte Membrane Fuel Cells . The Journal of Physical Chemistry Letters 13:49, pages 11444-11453.
Crossref
Shuwen Yang, Guanlun Guo & Mingrui Wei. (2022) Molecular dynamics study on the interfacial characteristics in the process of sub/supercritical evaporation. Journal of Molecular Liquids 368, pages 120693.
Crossref
Yuexin Liu, Dongchen Shen, Zhengkai Tu, Lu Xing, Yongchul G. Chung & Song Li. (2022) Room-temperature hydrogen storage performance of metal-organic framework/graphene oxide composites by molecular simulations. International Journal of Hydrogen Energy 47:97, pages 41055-41068.
Crossref
Jiasheng Song, Zhuangying Zhu & Lang Liu. (2022) Mechanism of Hexane Displaced by Supercritical Carbon Dioxide: Insights from Molecular Simulations. Molecules 27:23, pages 8340.
Crossref
Tsu-Hsu Yen & Yeng-Long Chen. (2022) Analysis of Gas Nanoclusters in Water Using All-Atom Molecular Dynamics. Langmuir 38:43, pages 13195-13205.
Crossref
Jiasheng Song, Lang Liu & Ye Hong. (2022) High interfacial resistances of CH4 and CO2 transport through Metal-Organic framework 5 (MOF-5). Separation and Purification Technology 301, pages 121895.
Crossref
Longyan Zhang & Jinliang Xu. (2022) Nucleate boiling of thin liquid films on nanostructured surfaces with hybrid wettability using molecular dynamics simulation. Journal of Molecular Liquids 366, pages 120272.
Crossref
Shouyin Cai, Xiaoxiao Li, Lin Yu, Lu Zhang & Erguang Huo. (2022) Thermodynamic and mass transport properties of R1234ze(E) and R32 mixtures at the liquid-vapor interface: A molecular dynamics study. Journal of Molecular Liquids 365, pages 120112.
Crossref
Mingrui Wei, Shuwen Yang, Hongling Ju & Guanlun Guo. (2022) Molecular dynamics simulation on micro-explosion of water-in-oil droplets in presence of solid particles or electric field. International Journal of Heat and Mass Transfer 196, pages 123263.
Crossref
Liang Liu, Chongzheng Sun, Yuxing Li, Hui Han, Jianlu Zhu & Zhengxiong Su. (2022) A molecular dynamics study on the mechanism of heterogeneous bubble nucleation of mixed liquid. International Communications in Heat and Mass Transfer 138, pages 106315.
Crossref
Kun Cai, Xin Zhou, Jiao Shi & Qing-Hua Qin. (2022) Water transport behaviors in a CTT-type nanotube system. Microfluidics and Nanofluidics 26:11.
Crossref
Dong Li, Yonggang Zheng, Hongwu Zhang & Hongfei Ye. (2022) Self-Bending Behavior and Varying Bending Stiffness of Black Phosphorus/Molybdenum Disulfide (BP/MoS2) Heterostructure. Nanomaterials 12:20, pages 3635.
Crossref
Nikolaos Patsalidis, George Papamokos, George Floudas & Vagelis Harmandaris. (2022) Understanding the Interaction between Polybutadiene and Alumina via Density Functional Theory Calculations and Machine-Learned Atomistic Simulations. The Journal of Physical Chemistry C 126:39, pages 16792-16803.
Crossref
Wenbin Zhou, Dongmei Han, Hualin Ma, Yanke Hu & Guodong Xia. (2022) Microscopic mechanisms behind nucleate boiling heat transfer enhancement on large-aspect-ratio concave nanostructured surfaces for two-phase thermal management. International Journal of Heat and Mass Transfer 195, pages 123136.
Crossref
Lei Xian, Lei Chen, Heqing Tian & Wen-Quan Tao. (2022) Enhanced thermal energy storage performance of molten salt for the next generation concentrated solar power plants by SiO2 nanoparticles: A molecular dynamics study. Applied Energy 323, pages 119555.
Crossref
Ippei Obayashi, Takenobu Nakamura & Yasuaki Hiraoka. (2022) Persistent Homology Analysis for Materials Research and Persistent Homology Software: HomCloud. Journal of the Physical Society of Japan 91:9.
Crossref
Biyu Jing, Yu Liu & Chao Liu. (2022) Molecular dynamics simulations of R32/R134a boiling on nanostructured surfaces. Journal of Molecular Liquids 362, pages 119711.
Crossref
L. Jiang, R.Y. Xie, W.K. Shi, E.Y. Wu, B. Li & X.J. Zhang. (2022) Water effect on adsorption carbon capture in metal-organic framework: A molecular simulation. Carbon Capture Science & Technology 4, pages 100061.
Crossref
Francesca Mocci, Leon de Villiers Engelbrecht, Chiara Olla, Antonio Cappai, Maria Francesca Casula, Claudio Melis, Luigi Stagi, Aatto Laaksonen & Carlo Maria Carbonaro. (2022) Carbon Nanodots from an In Silico Perspective. Chemical Reviews 122:16, pages 13709-13799.
Crossref
Weili Qiang, Zhong Lan, Bingang Du, Wenzhi Ren, Wei Xu, Rongfu Wen & Xuehu Ma. (2022) Enrichment Effects Induced by Non-uniform Wettability Surfaces in the Presence of Non-condensable Gas: A Molecular Dynamics Simulation. Langmuir 38:33, pages 10192-10201.
Crossref
Felix Mercier, Gaetan Delhaye & Victor Teboul. (2022) Activation induced fluidization of a confined viscous liquid. Journal of Molecular Liquids 360, pages 119545.
Crossref
Seyed Soroush Mousavi Khadem, Amin Hamed Mashhadzadeh, Farrokh Yousefi, S. Mohammad Sajadi, Sajjad Habibzadeh, Muhammad Tajammal Munir, Navid Rabiee, Rajender S. Varma, Michael Badawi, Eder C. Lima & Mohammad Reza Saeb. (2022) Dynamics of Topology-dependent Water Purification by Siliceous Zeolite Membranes. Journal of Molecular Liquids 359, pages 119250.
Crossref
Wenbin Zhou, Dongmei Han, Hualin Ma, Yanke Hu & Guodong Xia. (2022) Molecular dynamics study on enhanced nucleate boiling heat transfer on nanostructured surfaces with rectangular cavities. International Journal of Heat and Mass Transfer 191, pages 122814.
Crossref
Qingshan Guan, Baochao Shan, Runxi Wang, Guang Feng & Zhaoli Guo. (2022) Evaluation of different particle-actuation modes in molecular dynamics and their impact on nanoscale flow behaviors. Physics of Fluids 34:7.
Crossref
Xiaojing Cheng, Jiabin You, Shuiyun Shen, Guanghua Wei, Xiaohui Yan, Chao Wang & Junliang Zhang. (2022) An ingenious design of nanoporous nafion film for enhancing the local oxygen transport in cathode catalyst layers of PEMFCs. Chemical Engineering Journal 439, pages 135387.
Crossref
Wenbin Zhou, Dongmei Han & Guodong Xia. (2022) Maximal enhancement of nanoscale boiling heat transfer on superhydrophilic surfaces by improving solid-liquid interactions: Insights from molecular dynamics. Applied Surface Science 591, pages 153155.
Crossref
Ting Liu, Md Hafizur Rahman, Pradeep L. Menezes & Ashlie Martini. (2022) Effect of Ion Pair on Contact Angle for Phosphonium Ionic Liquids. The Journal of Physical Chemistry B 126:23, pages 4354-4363.
Crossref
Kai Töpfer, Meenu Upadhyay & Markus Meuwly. (2022) Quantitative molecular simulations. Physical Chemistry Chemical Physics 24:21, pages 12767-12786.
Crossref
Chengzhi Hu, Zixin Pei, Lin Shi, Dawei Tang & MinLi Bai. (2022) Phase transition properties of thin liquid films with various thickness on different wettability surfaces. International Communications in Heat and Mass Transfer 135, pages 106125.
Crossref
Irina Nesterova, Yuriy Kanygin, Pavel Lomovitskiy & Aleksey Khlyupin. (2022) Adaptive intermolecular interaction parameters for accurate Mixture Density Functional Theory calculations. Chemical Engineering Science 254, pages 117628.
Crossref
Seyed Soroush Mousavi Khadem, Abbasali Nasiriasayesh, Amin Hamed Mashhadzadeh, Sajjad Habibzadeh, S. Mohammad Sajadi, Otman Abida, Muhammad Tajammal Munir, Amin Esmaeili, Navid Rabiee, Mohammad Reza Saeb, Mohammadreza Shokouhimehr & Rajender S. Varma. (2021) MEL zeolite nanosheet membranes for water purification: insights from molecular dynamics simulations. Journal of Nanostructure in Chemistry 12:3, pages 291-305.
Crossref
Wentao Chen & Gyoko Nagayama. (2022) Quasi-Casimir coupling can induce thermal resonance of adsorbed liquid layers in a nanogap. Physical Chemistry Chemical Physics 24:19, pages 11758-11769.
Crossref
Jorge Munguía-Valadez, Marco Antonio Chávez-Rojo, Edward John Sambriski & José Antonio Moreno-Razo. (2022) The generalized continuous multiple step (GCMS) potential: model systems and benchmarks. Journal of Physics: Condensed Matter 34:18, pages 184002.
Crossref
Samaneh Nasiri, Kai Wang, Mingjun Yang, Julien Guénolé, Qianqian Li & Michael Zaiser. (2022) Atomistic aspects of load transfer and fracture in CNT-reinforced aluminium. Materialia 22, pages 101376.
Crossref
S.N. Sami, R. Islam, S. Portillo, E. Schamiloglu & R.P. Joshi. (2022) Numerical evaluations of hydrogen outgassing from cesium coated carbon fiber electrodes. Vacuum 198, pages 110869.
Crossref
Guanyu Wang, Zhaoxu Wang, Weiliang Cao, Yuan Liu, Baishu Zheng & Yiqiang Deng. (2022) Identifying promising covalent organic frameworks for HCHO/O2 + N2 adsorption from indoor air pollution using high-throughput computational screening. Computational and Theoretical Chemistry 1210, pages 113655.
Crossref
Wen-Bo Wang, Ryoshi Ohta & Makoto Kambara. (2022) Study on liquid-like SiGe cluster growth during co-condensation from supersaturated vapor mixtures by molecular dynamics simulation. Physical Chemistry Chemical Physics 24:12, pages 7442-7450.
Crossref
Peter Ogrin & Tomaz Urbic. (2022) Isothermal-isobaric algorithm to study the effects of rotational degrees of freedom-Benz water model. Journal of Molecular Liquids 349, pages 118152.
Crossref
Abhishek T. Sose, Esmat Mohammadi, Preeya F. Achari & Sanket A. Deshmukh. (2022) Determination of Accurate Interaction Parameters between the Molybdenum Disulfide and Water to Investigate Their Interfacial Properties. The Journal of Physical Chemistry C 126:4, pages 2013-2022.
Crossref
Wenjing Zhou, Yonghai Zhang & Jinjia Wei. (2022) Molecular Dynamics Study on the Combined Effects of the Nanostructure and Wettability of Solid Surfaces on Bubble Nucleation. Langmuir 38:3, pages 1223-1230.
Crossref
Xinxin Deng, Quanguo Zhang, Zhiping Zhang, Qibin Li & Xiangyang Liu. (2022) Adsorption and diffusion behavior of CO2/H2 mixture in calcite slit pores: A molecular simulation study. Journal of Molecular Liquids 346, pages 118306.
Crossref
Gaetan Delhaye, Felix Mercier & Victor Teboul. (2021) Simulation of a flat folding nano-swimmer confined in a nanopore. Physics of Fluids 33:12.
Crossref
Sina Karimzadeh, Babak Safaei, Tien-Chien Jen & Peter Ozaveshe Oviroh. (2021) Enhanced removal efficiency of heavy metal ions from wastewater through functionalized silicon carbide membrane: A theoretical study. Journal of Water Process Engineering 44, pages 102413.
Crossref
Spencer Wyant, Andrew Rohskopf & Asegun Henry. (2021) Machine learned interatomic potentials for modeling interfacial heat transport in Ge/GaAs. Computational Materials Science 200, pages 110836.
Crossref
Jie Zhang, Hongqing Song, Weiyao Zhu & Jiulong Wang. (2021) Liquid Transport Through Nanoscale Porous Media with Strong Wettability. Transport in Porous Media 140:3, pages 697-711.
Crossref
Reza Rabani, Mohammad Hassan Saidi, Laurent Joly, Samy Merabia & Ali Rajabpour. (2021) Enhanced local viscosity around colloidal nanoparticles probed by equilibrium molecular dynamics simulations. The Journal of Chemical Physics 155:17.
Crossref
Jiabin You, Zhifeng Zheng, Liuxuan Luo, Xiaojing Cheng, Cehuang Fu, Shuiyun Shen, Guanghua Wei, Chao Wang & Junliang Zhang. (2021) Microstructures and Proton Networks of Ionomer Film on the Surface of Platinum Single Atom Catalyst in Polymer Electrolyte Membrane Fuel Cells. The Journal of Physical Chemistry C 125:43, pages 24240-24248.
Crossref
Boyao Wen, Chengzhen Sun, Zhengyuan Luo, Xi Lu, Haibo Wang & Bofeng Bai. (2021) A hydrogen bond-modulated soft nanoscale water channel for ion transport through liquid–liquid interfaces. Soft Matter 17:42, pages 9736-9744.
Crossref
Yang Wang, Kangmin Niu & Ying Wu. (2021) Multiscale modelling of graphene sheet and its application in laminated composites. Composite Structures 276, pages 114416.
Crossref
Chen Wang, Xiaosong Zhang, Zhanping You, Muxing Zhang, Shifang Huang & Xiaohui She. (2021) The effect of air purification on liquid air energy storage – An analysis from molecular to systematic modelling. Applied Energy 300, pages 117349.
Crossref
Kun Wang, Bo Peng, Runan Zhao, Hongmei Xu & Fei Yan. (2021) Molecular dynamics simulation of waxy deposition in crude oil system. International Journal of Modern Physics B 35:24.
Crossref
Peter Ogrin & Tomaz Urbic. (2021) The effect of rotational degrees of freedom on solvation of nonpolar solute. Journal of Molecular Liquids 337, pages 116453.
Crossref
Wen-Bo Wang & Makoto Kambara. (2021) A molecular dynamics simulation of inhomogeneous silicon–germanium nucleation from supersaturated vapor mixtures. AIP Advances 11:8.
Crossref
Ruiting Tong, Bin Han, Xiao Zhang, Tao Zhang, Quanren Zeng & Geng Liu. (2021) Molecular Dynamics Simulation on Collision Frictional Properties of a Molybdenum Disulfide (MoS2) Film in Microgravity Environment. Microgravity Science and Technology 33:4.
Crossref
Ying Wang, Guanyu Wang, Yuan Liu, Baishu Zheng, Zhaoxu Wang & Qingyuan Yang. (2021) Identifying Promising Covalent-Organic Frameworks for Decarburization and Desulfurization from Biogas via Computational Screening. ACS Sustainable Chemistry & Engineering 9:26, pages 8858-8867.
Crossref
Shouyin Cai, Chuang Wu, Xiaoxiao Li & Qibin Li. (2021) Effects of lubricant on evaporation and boiling processes of R1234ze(E): A molecular dynamics study. Applied Thermal Engineering 193, pages 117009.
Crossref
Joon Sang Kang, Man Li, Huan Wu, Huuduy Nguyen, Toshihiro Aoki & Yongjie Hu. (2021) Integration of boron arsenide cooling substrates into gallium nitride devices. Nature Electronics 4:6, pages 416-423.
Crossref
Qibin Li, Xinxin Deng, Yang Liu, Qinglin Cheng & Chao Liu. (2021) Gelation of waxy crude oil system with ethylene-vinyl acetate on solid surface: A molecular dynamics study. Journal of Molecular Liquids 331, pages 115816.
Crossref
Jiasheng Song, Lang Liu, Qibin Li, Chao Liu & Fenhong Song. (2021) Entrance resistance of water transport into carbon nanotubes: Insights from molecular dynamics simulations. Journal of Molecular Liquids 331, pages 115739.
Crossref
Seyed Soroush Mousavi Khadem, Amin Hamed Mashhadzadeh, Sajjad Habibzadeh, Muhammad Tajammal Munir, Eder C. Lima & Mohammad Reza Saeb. (2021) A theoretical probe into the effects of material and operational variables on water purification with zeolite membranes. Microporous and Mesoporous Materials 320, pages 111070.
Crossref
Teng Zhu, Houjian Gong & Mingzhe Dong. (2021) Density and viscosity of CO2 + ethyl acetate binary systems from 308.15 to 338.15 K and 15 to 45 MPa. Fluid Phase Equilibria 537, pages 112988.
Crossref
Cheng Zhang, Kangjie Deng, Dewen Yuan, Wenxing Liu & Xiao Yan. (2021) Nanofilm boiling and evaporation of working fluids R32/R1234ze(E) on metal walls: Insights from molecular dynamics simulations. International Journal of Modern Physics B 35:13, pages 2150165.
Crossref
Ling Wu, Wei Shao, Qun Cao & Zheng Cui. (2021) Atomistic Insight into the Effects of Depositional Nanoparticle on Nanoscale Liquid Film Evaporation. Langmuir 37:17, pages 5202-5212.
Crossref
Victor Teboul & Simona Ciobotarescu. (2021) Orientation of motion of a flat folding nano-swimmer in soft matter. Physical Chemistry Chemical Physics 23:14, pages 8836-8846.
Crossref
Hyojeong Kim, Lothar Schimmele & S. Dietrich. (2021) Wetting behavior of a colloidal particle trapped at a composite liquid-vapor interface of a binary liquid mixture. Physical Review E 103:4.
Crossref
Xiong Liu, Guillaume Michal, Ajit Godbole & Cheng Lu. (2021) Decompression modelling of natural gas-hydrogen mixtures using the Peng-Robinson equation of state. International Journal of Hydrogen Energy 46:29, pages 15793-15806.
Crossref
Teng Zhu, Yuming Li, Houjian Gong & Mingzhe Dong. (2021) Phase Equilibrium and Density of CO 2 + Acetic Acid Systems from 308.15 to 338.15 K and 15 to 45 MPa . ACS Omega 6:10, pages 6663-6673.
Crossref
Xinxin Deng, Zhenzhong Li & Wenjie Li. (2020) Molecular dynamics simulation of evaporation of R32 on the solid surface. Modern Physics Letters B 35:07, pages 2150133.
Crossref
Yifan Gan, Qinglin Cheng, Shengli Chu, Zhihua Wang, Guohua Luan, Wei Sun, Shuang Wang, Chao Liu, Qibin Li & Yang Liu. (2021) Molecular Dynamics Simulation of Waxy Crude Oil Multiphase System Depositing and Sticking on Pipeline Inner Walls and the Micro Influence Mechanism of Surface Physical–Chemical Characteristics. Energy & Fuels 35:5, pages 4012-4028.
Crossref
Seba Alareeqi, Daniel Bahamon, Ricardo P. Nogueira & Lourdes F. Vega. (2021) Understanding the relationship between the structural properties of three corrosion inhibitors and their surface protectiveness ability in different environments. Applied Surface Science 542, pages 148600.
Crossref
T. Urbic. (2021) Pressure dependence of solvation of non-polar solute in simple model of water. Condensed Matter Physics 24:3, pages 33604.
Crossref
Longyan Zhang, Jinliang Xu, Junpeng Lei & Guanglin Liu. 2021. Advances in Heat Transfer and Thermal Engineering. Advances in Heat Transfer and Thermal Engineering 183 189 .
Shouyin Cai, Qibin Li, Wenjie Li, Lu Zhang & Xiangyang Liu. (2020) Effects of mole fraction and surface wettability on evaporation of Ar/Kr mixtures: A molecular dynamics study. Journal of Molecular Liquids 319, pages 114189.
Crossref
Minhua Zhang, Lihang Chen & Jing Ma. (2020) Multiscale Simulation of Vinyl Acetate Systems Applied in the Industrial Gas Separation Column. Industrial & Engineering Chemistry Research 59:46, pages 20428-20436.
Crossref
Yu-Jie Chen, Xue-Jiao Chen, Bo Yu, Yu Zou & Wen-Quan Tao. (2020) Molecular Dynamics Study of Bubble Nucleation on an Ideally Smooth Substrate. Langmuir 36:45, pages 13725-13734.
Crossref
Ke Gong, Timing Fang, Ting Wan, Youguo Yan, Wen Li & Jun Zhang. (2020) Voltage-gated multilayer graphene nanochannel for K+/Na+ separation: A molecular dynamics study. Journal of Molecular Liquids 317, pages 114025.
Crossref
Aysan Shahsavar Goldanlou, Majid Zarringhalam, Nima Shirani, As'ad Alizadeh, Davood Toghraie & Sara Rostami. (2020) Investigation the effects of an external driving force and cone shape of roughness on the phase change behavior of Argon fluid within a microchannel by molecular dynamic simulation. Journal of Molecular Liquids 313, pages 113503.
Crossref
Yu-Jie Chen, Bo Yu, Yu Zou, Bing-Nan Chen & Wen-Quan Tao. (2020) Molecular dynamics studies of bubble nucleation on a grooved substrate. International Journal of Heat and Mass Transfer 158, pages 119850.
Crossref
Zhongqiang Zhang, Shaofan Li, Baoxia Mi, Jinbao Wang & Jianning Ding. (2020) Surface slip on rotating graphene membrane enables the temporal selectivity that breaks the permeability-selectivity trade-off. Science Advances 6:34.
Crossref
Yu-Jie Chen, Qun Cao, Jingfa Li, Bo Yu & Wen-Quan Tao. (2020) Effects of simulation system on the phase transition behavior of liquid film: A molecular dynamics study. Journal of Molecular Liquids 311, pages 113306.
Crossref
Sara Rostami, Majid Zarringhalam, As'ad Alizadeh, Davood Toghraie & Aysan Shahsavar Goldanlou. (2020) Molecular dynamic simulation of Argon boiling flow inside smooth and rough microchannels by considering the effects of cubic barriers. Journal of Molecular Liquids 312, pages 113130.
Crossref
Shouyin Cai, Qibin Li, Chao Liu & Lu Zhang. (2020) Evaporation of Ar/Kr mixtures on platinum surface: a molecular dynamics study. Physical Chemistry Chemical Physics 22:28, pages 16157-16164.
Crossref
Sara Rostami, Hossein Ahmadi-Danesh-Ashtiani, Davood Toghraie & Reza Fazaeli. (2020) A statistical method for simulation of boiling flow inside a Platinum microchannel. Physica A: Statistical Mechanics and its Applications 548, pages 123879.
Crossref
Longyan Zhang, Jinliang Xu, Guangling Liu & Junpeng Lei. (2020) Nucleate boiling on nanostructured surfaces using molecular dynamics simulations. International Journal of Thermal Sciences 152, pages 106325.
Crossref
Yujie Chen, Bing-Nan Chen, Bo Yu, Wenquan Tao & Yu Zou. (2020) Molecular Dynamics Study of Bubble Nucleation on a Substrate with Nonuniform Wettability. Langmuir 36:19, pages 5336-5348.
Crossref
Shu-Rong Yan, Nima Shirani, Majid Zarringhalam, Davood Toghraie, Quyen Nguyen & Arash Karimipour. (2020) Prediction of boiling flow characteristics in rough and smooth microchannels using molecular dynamics simulation: Investigation the effects of boundary wall temperatures. Journal of Molecular Liquids 306, pages 112937.
Crossref
Yu-Jie Chen, Bo Yu, Yu Zou, Bing-Nan Chen & Wen-Quan Tao. (2020) Study on the effect of foreign particle on bubble nucleation by using molecular dynamics simulation. Journal of Molecular Liquids 305, pages 112876.
Crossref
Shouyin Cai, Qibin Li, Chao Liu & Yingjie Zhou. (2020) Evaporation of R32/R152a mixtures on the Pt surface: A molecular dynamics study. International Journal of Refrigeration 113, pages 156-163.
Crossref
L. L. Romanielo, M. G. M. V. Pereira, S. Arvelos & E. J. Maginn. (2020) Use of a New Size-Weighted Combining Rule to Predict Adsorption in Siliceous Zeolites. Journal of Chemical & Engineering Data 65:4, pages 1379-1395.
Crossref
Hirofumi Tabe, Kazumichi Kobayashi, Hisao Yaguchi, Hiroyuki Fujii & Masao Watanabe. (2020) Levitation mechanism of impacting nanodroplet on heated wall. International Journal of Thermal Sciences 150, pages 106203.
Crossref
Xumiao Zhou, Yuanyuan Yu, Houyang Chen, Li Yang, Yuanhang Qin, Tielin Wang, Wei Sun & Cunwen Wang. (2020) Porous Material Screening and Evaluation for Deep Desulfurization of Dry Air. Langmuir 36:11, pages 2775-2785.
Crossref
Qiang Wang, Qizhong Tang & Sen Tian. (2020) Molecular dynamics simulation of sI methane hydrate under compression and tension. Open Chemistry 18:1, pages 69-76.
Crossref
V. V. Reshetniak & A. V. Aborkin. (2020) Aluminum–Carbon Interaction at the Aluminum–Graphene and Aluminum–Graphite Interfaces. Journal of Experimental and Theoretical Physics 130:2, pages 214-227.
Crossref
G. Rajonson, D. Poulet, M. Bruneau & V. Teboul. (2020) Comparison of time reversal symmetric and asymmetric nano-swimmers oriented with an electric field in soft matter. The Journal of Chemical Physics 152:2, pages 024503.
Crossref
Yu-Ming Yin & Ling-Ling Zhao. (2020) Effects of salt concentrations and pore surface structure on the water flow through rock nanopores. Acta Physica Sinica 69:5, pages 054701.
Crossref
Yeping Peng, Majid Zarringhalam, Azeez A. Barzinjy, Davood Toghraie & Masoud Afrand. (2020) Effects of surface roughness with the spherical shape on the fluid flow of argon atoms flowing into the microchannel, under boiling condition using molecular dynamic simulation. Journal of Molecular Liquids 297, pages 111650.
Crossref
Yeping Peng, Majid Zarringhalam, Mehdi Hajian, Davood Toghraie, Shahrzad Jafari Tadi & Masoud Afrand. (2019) Empowering the boiling condition of Argon flow inside a rectangular microchannel with suspending Silver nanoparticles by using of molecular dynamics simulation. Journal of Molecular Liquids 295, pages 111721.
Crossref
Xunyan Yin, Chengzhi Hu, Minli Bai & Jizu Lv. (2019) Effects of depositional nanoparticle wettability on explosive boiling heat transfer: A molecular dynamics study. International Communications in Heat and Mass Transfer 109, pages 104390.
Crossref
Majid Zarringhalam, Hossein Ahmadi-Danesh-Ashtiani, Davood Toghraie & Reza Fazaeli. (2019) The effects of suspending Copper nanoparticles into Argon base fluid inside a microchannel under boiling flow condition by using of molecular dynamic simulation. Journal of Molecular Liquids 293, pages 111474.
Crossref
Longyan Zhang, Jinliang Xu, Junpeng Lei & Guanglin Liu. (2019) The connection between wall wettability, boiling regime and symmetry breaking for nanoscale boiling. International Journal of Thermal Sciences 145, pages 106033.
Crossref
Lingjun Huang & Guilian Liu. (2019) Optimization of the hydrogen separator based on the hydrogen network integration. Journal of Cleaner Production 235, pages 1399-1408.
Crossref
Majid Zarringhalam, Hossein Ahmadi-Danesh-Ashtiani, Davood Toghraie & Reza Fazaeli. (2019) Molecular dynamic simulation to study the effects of roughness elements with cone geometry on the boiling flow inside a microchannel. International Journal of Heat and Mass Transfer 141, pages 1-8.
Crossref
Li Yang, Lei Sun & Wei-Qiao Deng. (2019) Combination Rules and Accurate van der Waals Force Field for Gas Uptakes in Porous Materials. The Journal of Physical Chemistry A 123:36, pages 7847-7854.
Crossref
Yifan Gan, Qinglin Cheng, Zhihua Wang, Jinwei Yang, Wei Sun & Yang Liu. (2019) Molecular Dynamics Simulation of the Nucleation and Gelation Process for a Waxy Crude Oil Multiphase System under Different Physical–Chemical Influencing Factors. Energy & Fuels 33:8, pages 7305-7320.
Crossref
Georgiy K. Ozerov, Dmitry S. Bezrukov & Alexei A. Buchachenko. (2019) Accommodation of a dimer in an Ar-like lattice: exploring the generic structural motifs. Physical Chemistry Chemical Physics 21:30, pages 16549-16563.
Crossref
Emelie Flood, Céline Boiteux, Bogdan Lev, Igor Vorobyov & Toby W. Allen. (2019) Atomistic Simulations of Membrane Ion Channel Conduction, Gating, and Modulation. Chemical Reviews 119:13, pages 7737-7832.
Crossref
Victor Teboul & Gabriel Rajonson. (2019) Simulations of supercooled water under passive or active stimuli. The Journal of Chemical Physics 150:21.
Crossref
Shouyin Cai, Qizhong Tang, Sen Tian, Yiyu Lu & Xuechao Gao. (2019) Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate. International Journal of Molecular Sciences 20:9, pages 2305.
Crossref
Tiange Wang, Zhixin Li, Jinjin Cao & Xiaofan Gou. (2019) Mechanical Damage of YBa 2 CU 3 O 7 -Coated Conducting Film Caused by Its CeO 2 Interface with Defects . International Journal of Applied Mechanics 11:04, pages 1950038.
Crossref
M. Lasich, C. Narasigadu & S. Moodley. (2019) Adsorption of humid air in compacted montmorillonite: A Monte Carlo simulation study. Fluid Phase Equilibria 487, pages 52-57.
Crossref
Victor Teboul & Gabriel Rajonson. (2019) Breakdown of the scallop theorem for an asymmetrical folding molecular motor in soft matter. The Journal of Chemical Physics 150:14.
Crossref
Huasheng Chen, Chao Liu & Xiaoxiao Xu. (2019) Molecular dynamic simulation of sulfur solubility in H 2 S system . International Journal of Modern Physics B 33:08, pages 1950052.
Crossref
Masataka Nakauchi, Takuya Mabuchi, Yuta Yoshimoto, Takuma Hori, Ikuya Kinefuchi, Hideki Takeuchi & Takashi Tokumasu. (2019) Molecular Dynamics Study of Oxygen Scattering Behavior on Perfluorosulfonic Acid Ionomer Thin Films. The Journal of Physical Chemistry C 123:12, pages 7125-7133.
Crossref
Longyan Zhang, Jinliang Xu & Junpeng Lei. (2019) Molecular dynamic simulation of bubble nucleation in a nanochannel with a groove. AIP Advances 9:3.
Crossref
Eirini Goudeli. (2019) Nanoparticle growth, coalescence, and phase change in the gas-phase by molecular dynamics. Current Opinion in Chemical Engineering 23, pages 155-163.
Crossref

Displaying 200 of 316 citing articles. Use the download link below to view the full list of citing articles.

Download full citations list

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.