WOS: 000392514900015In this paper, we present an analytical procedure to evaluate the zero-pressure Joule-Thomson coefficient using the second virial coefficient over the Lennard-Jones (12-6) potential.
Somuncu, E., Mamedov, B. A.
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A Novel Green Method for Producing Medical‐Grade Chitosan From Loligo plei Squid Pens
This work demonstrates a sustainable and simplified process for the production of medical‐grade chitosan from the feathers of the squid Loligo plei, employing mild chemical treatments to preserve the integrity of the polymer while achieving high purity and performance.
Talita Martins +7 more
wiley +1 more source
The Accurate Evaluation of the Intermolecular Potential Parameters and its Applications
Accurate determination of intermolecular potential parameters is essential for predicting thermophysical properties of real gases, particularly heavy polyatomic fluorides of industrial relevance.
E. Somuncu
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Application of Genetic Algorithm Based Support Vector Machine Model in Second Virial Coefficient Prediction of Pure Compounds [PDF]
In this work, a Genetic Algorithm boosted Least Square Support Vector Machine model by a set of linear equations instead of a quadratic program, which is improved version of Support Vector Machine model, was used for estimation of 98 pure compounds ...
Mohammad Soleimani Lashkenar +2 more
doaj
Determination of chain conformation of polysaccharides using a SEC‐MALLS‐Vis
Abstract For polysaccharides, biological activity is associated with the chemical structure as well as the chain conformation. The chain conformation is conventionally derived from the scaling relationships between weight‐average molecular weight (Mw) and intrinsic viscosity ([η]) or the radius of gyration (Rg) or the translational diffusion ...
Xuan Li +3 more
wiley +1 more source
Predicting the gas-liquid critical point from the second virial coefficient
We show that whereas the critical point is very sensitive to the range of interaction, the second virial coefficient has a fairly constant value at the critical temperature. This enables us to predict the critical temperature with fair accuracy.
Vliegenthart, G.A. +5 more
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GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP
GPUMDkit is a comprehensive and user‐friendly toolkit for GPUMD and NEP programs, integrating format conversion, structure sampling, property calculation, and visualization into a unified interface, substantially lowering the barrier to entry for machine‐learning molecular dynamics simulations with GPUMD and NEP.
Zihan Yan +22 more
wiley +1 more source
Use of the Padé approximants for calculating the second virial coefficient
The expansions in reduced temperature, occurring in relations for the second virial coefficient of the power-law potentials were expressed by the Pade approximant.
Jan Vosmanský, Tomáš Boublík
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SECOND VIRIAL COEFFICIENTS OF NONSPHERICAL MOLECULES WITH INDIVIDUAL DAMPING OF HFDID 1 POTENTIAL [PDF]
The second virial coefficients are given as a spherical-core contribution plus a series of nonspherical perturbation terms. A revised analysis is given of the effect of long-range nonspherical terms in the intermolecular potential on the second virial ...
doaj
Second virial coefficient of krypton at low temperatures
THE second virial coefficient of krypton was determined for temperatures ranging from 109.95°K. to 270.3°K. The experimental technique has been described1,2; one measures the difference between the volume expansions at the same pressure and temperature ...
Thomaes, Georges +1 more
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