EXPERIMENTS IN3He-4He LIQUID MIXTURES NEAR THE TRICRITICAL POINT

<div> <div> <div> <p>Many-body potential energy functions (PEFs) based on the TTM-nrg and MB-nrg theoretical/computational frameworks are developed from coupled cluster reference data for neat methane and mixed methane/water systems. It is shown that that the MB-nrg PEFs achieve subchemical accuracy in the representation of individual many-body effects in small clusters and enables predictive simulations from the gas to the liquid phase. Analysis of structural properties calculated from molecular dynamics simulations of liquid methane and methane/water mixtures using both TTM-nrg and MB-nrg PEFs indicates that, while accounting for polarization effects is important for a correct description of many-body interactions in the liquid phase, an accurate representation of short-range interactions, as provided by the MB-nrg PEFs, is necessary for a quantitative description of the local solvation structure in liquid mixtures. </p> </div> </div> </div>

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General Trend of Negative Transference Number in Li Salt/Ionic Liquid Mixtures

10.26434/chemrxiv.7728545 ◽

2019 ◽

Cited By ~ 1

Author(s):

Nicola Molinari ◽

Jonathan P. Mailoa ◽

Boris Kozinsky

Keyword(s):

Ionic Liquid ◽

Transference Number ◽

Liquid Mixtures ◽

Single Linkage ◽

Self Diffusion ◽

Wide Range ◽

Single Linkage Cluster ◽

Concentrated Solution ◽

The One ◽

Dynamics Simulations

We show that strong cation-anion interactions in a wide range of lithium-salt/ionic liquid mixtures result in a negative lithium transference number, using molecular dynamics simulations and rigorous concentrated solution theory. This behavior fundamentally deviates from the one obtained using self-diffusion coefficient analysis and agrees well with experimental electrophoretic NMR measurements, which accounts for ion correlations. We extend these findings to several ionic liquid compositions. We investigate the degree of spatial ionic coordination employing single-linkage cluster analysis, unveiling asymmetrical anion-cation clusters. Additionally, we formulate a way to compute the effective lithium charge that corresponds to and agrees well with electrophoretic measurements and show that lithium effectively carries a negative charge in a remarkably wide range of chemistries and concentrations. The generality of our observation has significant implications for the energy storage community, emphasizing the need to reconsider the potential of these systems as next generation battery electrolytes.<br>

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Methods of Stabilization of Gas Condensates

10.31224/osf.io/7efw3 ◽

2018 ◽

Author(s):

Ibukun Makinde

Keyword(s):

Single Phase ◽

Phase State ◽

Liquid Mixtures ◽

Gas Condensate ◽

Liquid Hydrocarbons ◽

Light Hydrocarbons ◽

Natural Gases ◽

Gas Condensates ◽

Single Phase State

Gas condensates are liquid mixtures of high-boiling hydrocarbons of various structures, separated from natural gases during their production at gas condensate fields. When transporting gas through pipelines, the following gas quality conditions should be met:i.During transportation, gases should not cause corrosion of pipelines, fittings, instruments, etc.ii.The quality of the gas must ensure its transportation in a single-phase state i.e., liquid hydrocarbons, gas condensates and hydrates should not form in the pipelines.In order for gas condensates to meet the above-mentioned quality conditions during storage or transportation, they must be stabilized. Gas condensate stabilization is the process of “boiling off” light hydrocarbons from the condensate that would otherwise increase the vapor pressure when conditions are fluctuating.

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