Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Experiment Videos

Solid-fluid and solid-solid phase equilibrium in a model of n-alkane mixtures.

M Cao1, P A Monson

  • 1Department of Chemical Engineering, University of Massachusetts, Amherst, Massachusetts 01003, USA.

The Journal of Chemical Physics
|July 23, 2004
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Injectable Hydrogel as Intracanal Medication for Root Canal Disinfection.

Journal of dental research·2025
Same author

Improving genomic prediction accuracy of pig reproductive traits based on genotype imputation using preselected markers with different imputation platforms.

Animal : an international journal of animal bioscience·2024
Same author

The impact of air pollutants on spontaneous abortion: a case-control study in Tongchuan City.

Public health·2024
Same author

[Clinical characteristics and prognostic factors of patients with anti-melanoma differentiation-associated gene 5 antibody-positive dermatomyositis associated interstitial lung disease].

Zhonghua jie he he hu xi za zhi = Zhonghua jiehe he huxi zazhi = Chinese journal of tuberculosis and respiratory diseases·2023
Same author

[Exploration of the effect of blood lipids on the lesion distribution pattern in acute ischemic stroke based on MRI study with population standard spatial analysis].

Zhonghua yi xue za zhi·2023
Same author

A randomized trial of eribulin monotherapy versus eribulin plus anlotinib in patients with locally recurrent or metastatic breast cancer.

ESMO open·2023
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026
Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026
Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026
Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026
Same journal

Photodynamics of amino acids under UV excitation: Extraterrestrial amino acids.

The Journal of chemical physics·2026
See all related articles

Monte Carlo simulations reveal that hard sphere chain mixtures of n-alkanes exhibit ideal solution behavior in the fluid phase. However, solid phases show significant nonideality and limited miscibility, decreasing with chain length differences.

Area of Science:

  • Thermodynamics
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding phase behavior in binary mixtures is crucial for chemical engineering and materials science.
  • Alkanes serve as fundamental models for studying phase equilibria due to their simple structures.

Purpose of the Study:

  • To calculate solid-fluid and solid-solid phase equilibrium for binary mixtures of n-hexane, n-heptane, and n-octane using hard sphere chain models.
  • To investigate the miscibility and phase separation behavior in these n-alkane mixtures.

Main Methods:

  • Monte Carlo computer simulations were employed to model the systems.
  • Thermodynamic integration was used to compute Gibbs free energy and chemical potentials.
  • A multiple stage free energy perturbation method calculated the composition derivative of Gibbs free energy.

Related Experiment Videos

Main Results:

  • Fluid phase behavior indicated ideal solution characteristics.
  • Solid phases exhibited significant nonideality, with limited solubility inversely proportional to chain length difference.
  • Direct observation of solid-solid phase separation occurred in n-hexane/n-octane mixtures, with segregation within solid layers.

Conclusions:

  • The study highlights the contrasting phase behavior between fluid and solid states in n-alkane mixtures.
  • Miscibility in the solid phase is strongly dependent on chain length differences and crystal structure compatibility.
  • Simulated phase separation in n-hexane/n-octane aligns with experimental observations in similar systems.