Recent advances in molecular dynamics of metal laser-processed nanoparticles: A review
W Ming, S Hu, Z Xie, F Zhang, G Zhang, X Guo… - Optics & Laser …, 2024 - Elsevier
Nanoparticles are the key in nanotechnology and nano science, and are widely
implemented in various domains, including biochemistry, biophysics, and nanoscience …
implemented in various domains, including biochemistry, biophysics, and nanoscience …
Simplified Approach to Understanding, Evaluating, and Parameterizing the NRTL Model for the Description of Binary VLE: Tττ-VLE Approach
DL de Klerk, CE Schwarz - Industrial & Engineering Chemistry …, 2023 - ACS Publications
An improved understanding of the Non-Random Two Liquid model can improve the
correlation of vapor liquid equilibrium (VLE) phase behavior beyond the trial-and-error …
correlation of vapor liquid equilibrium (VLE) phase behavior beyond the trial-and-error …
Modeling swelling behavior of hydrogels in aqueous organic solvents
Hydrogel, a three-dimensional elastic structure of cross-linked polymer chains, swells or
deswells when immersed in aqueous organic solutions. The swelling of hydrogels depends …
deswells when immersed in aqueous organic solutions. The swelling of hydrogels depends …
Interfacial adhesive property in “asphalt mixture-PMA copolymer-steel plate” system: Experimental and molecular dynamics simulation
M Zhang, P Hao, Y Li - Construction and Building Materials, 2021 - Elsevier
In this article, poly (methyl methacrylate/n-butyl acrylate) copolymer (PMA) is being
considered for utilizing as a waterproof adhesive layer (WAL) on the steel bridge deck …
considered for utilizing as a waterproof adhesive layer (WAL) on the steel bridge deck …
[HTML][HTML] Estimation of Component Activities and Molar Excess Gibbs Energy of 19 Binary Liquid Alloys from Partial Pair Distribution Functions in Literature
C Wang, X Chen, D Tao - Metals, 2023 - mdpi.com
This work proposes a new method for estimating the molar excess Gibbs energy and activity
of liquid alloy based on recent research. The local composition theory provides a connection …
of liquid alloy based on recent research. The local composition theory provides a connection …
Prediction of the Synergistic Glass Transition Temperature of Coamorphous Molecular Glasses Using Activity Coefficient Models
The glass transition temperature (T g) of a binary miscible mixture of molecular glasses,
termed a coamorphous glass, is often synergistically increased over that expected for an …
termed a coamorphous glass, is often synergistically increased over that expected for an …
Comparative analysis of molecular interactions in quaternary fluid system performed by classical and ab initio molecular dynamics
AM Toikka, AV Petrov - Mendeleev Communications, 2023 - Elsevier
Molecular interactions in the quaternary fluid system acetic acid–n-propanol–n-propyl
acetate–water were analyzed by classical and ab initio molecular dynamics methods. It was …
acetate–water were analyzed by classical and ab initio molecular dynamics methods. It was …
Phase equilibrium data prediction and process optimization in butadiene extraction process
B Niu, Y Yi, Y Wei, F Zhang, L Wang, L Xia… - Chinese Journal of …, 2024 - Elsevier
In response to the lack of reliable physical parameters in the process simulation of the
butadiene extraction, a large amount of phase equilibrium data was collected in the context …
butadiene extraction, a large amount of phase equilibrium data was collected in the context …
[PDF][PDF] MODELAGEM COMPUTACIONAL NA ENGENHARIA DE PROCESSOS ATUAL: DO MICRO AO MACRO, MODERNIDADE E INTERDISCIPLINARIDADE
LA Silva, JPS Oliveira, HFS Echternacht, AM Pereira… - researchgate.net
No contexto da Indústria 4.0, em que a computação se mostra como protagonista no
desenvolvimento tecnológico, científico e industrial, a engenharia de processos tem …
desenvolvimento tecnológico, científico e industrial, a engenharia de processos tem …
Estimation of Molar Excess Gibbs Energy and Component Activities of K-Na, Cs-K, Al-Sn and Mg-Si Liquid Alloys from Pair Distribution Functions
C Wang, XM Chen, D Tao - Cs-K, Al-Sn and Mg-Si Liquid Alloys from Pair … - papers.ssrn.com
Based on the latest research methods, that estimating the activity and excess Gibbs energy
of liquid mixtures without use thermodynamic data, extracting g1 ij (r), the local distribution …
of liquid mixtures without use thermodynamic data, extracting g1 ij (r), the local distribution …