DOAJ Open Access 2018

Surface tension data of n-propane, n-octane and n-dodecane from nucleation simulations

Zamantha Nadir Z. Martin Imee Su Martinez Ricky B. Nellas

Lihat Sumber DOI

Abstrak

The Classical Nucleation Theory (CNT) has been a dominant model in understanding the self-assembly of new thermodynamic phases. CNT provides significant explanations to processes such as aerosol formation and cloud condensation. In this work, we generated the nucleation free energy profiles of normal alkanes (n-propane, n-octane and n-dodecane) at five different temperatures using the grand-canonical version of the nucleation algorithm. From these free energy profiles, characteristic $ \Omega $ ($ \equiv $$ \sigma /\rho ^{2/3} $) values were obtained. Using the density, $ \rho $ values from United-Atom Transferable Potentials for Phase Equilibria (TraPPE-UA) force field and the obtained $ \Omega $ values, we calculated the corresponding surface tension, $ \sigma $ values of these n-alkane systems at different temperatures. Values obtained are within reasonable agreement with experimental data.

Topik & Kata Kunci

Meteorology. Climatology

Penulis (3)

Zamantha Nadir Z. Martin

Imee Su Martinez

Ricky B. Nellas

Format Sitasi

APA MLA BibTeX

Martin, Z.N.Z., Martinez, I.S., Nellas, R.B. (2018). Surface tension data of n-propane, n-octane and n-dodecane from nucleation simulations. https://doi.org/10.1080/16000889.2018.1463807

Akses Cepat

Lihat di Sumber doi.org/10.1080/16000889.2018.1463807

Informasi Jurnal

Tahun Terbit: 2018
Sumber Database: DOAJ
DOI: 10.1080/16000889.2018.1463807
Akses: Open Access ✓