Transport properties of fluids using new rough hard-sphere and molecular dynamics simulation was written by Farhadi, Mitra;Fakhraee, Sara;Akbari, Falamarz. And the article was included in Journal of Molecular Liquids in 2019.Application of 5444-75-7 The following contents are mentioned in the article:
We have studied transport properties, as well as the self-diffusion, viscosity and thermal conductivity of fluids by using new semi-theor. model based on the rough hard-sphere (RHS) theory. In the present study, the proposed RHS is employed to model the transport properties of CH4, CCl4, C6H6, CHCl3, H2O, R134a, 2-EHB, PE and PS for temperatures ranging from 110 to 530 K and at pressures up to 1000 MPa. Parameters appeared in the new RHS model are taken from previously developed perturbed hard-trimer chain (PHTC) equation of state. From 174 exptl. data points examined, the average absolute relative deviation AARD of predicted viscosities for CH4, H2O and R134a was found to be 6.59%. In the case of self-diffusion, the new RHS-based model correlated and predicted 139 exptl. data points with AARD equal to 4.06%. The proposed RHS-based model has also been extended to predicted 228 exptl. data points of thermal conductivity for CH4, H2O and R134a with AARD equal to 4.54%. In addition, mol. dynamics (MD) calculations were performed with the GROMACS simulation package and to investigate the thermophys. properties of fluids. The MD approach enabled us to calculate the d., viscosity, self-diffusion and thermal conductivity of CH4 and C6H6. Finally, MD is applied to calculate d. of binary water-alc. mixtures including water-methanol and water-ethanol. This study involved multiple reactions and reactants, such as 2-Ethylhexyl benzoate (cas: 5444-75-7Application of 5444-75-7).
2-Ethylhexyl benzoate (cas: 5444-75-7) belongs to esters. Esters typically have a pleasant smell; those of low molecular weight are commonly used as fragrances and are found in essential oils and pheromones. Liquid esters of low volatility serve as softening agents for resins and plastics. Esters also include many industrially important polymers. Polymethyl methacrylate is a glass substitute sold under the names Lucite and Plexiglas; polyethylene terephthalate is used as a film (Mylar) and as textile fibres sold as Terylene, Fortrel, and Dacron.Application of 5444-75-7
Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics