Experimental and modeling study of isothermal VLE properties of the supercritical C3H8+ benzylamine mixture

IS Khabriev, VF Khairutdinov, TR Akhmetzyanov… - Journal of the Taiwan …, 2024 - Elsevier
Backgrounds For the design and development of a method utilizing SC C 3 H 8 for the
chemical synthesis like the production of active pharma ingredients (pharmaceutical …

Comparison of CP-PC-SAFT and CS-SAFT-VR-Mie in predicting fluid phase behavior in systems of phenolic compounds, aromatic amines, acetophenone, and …

I Polishuk, E Cea-Klapp, JM Garrido… - Industrial & …, 2023 - ACS Publications
This study compares the capabilities of the Critical Point-based Revision of PC-SAFT (CP-
PC-SAFT) and the Corresponding States-based SAFT of Variable Range and Mie Potential …

Development of new transferable coarse-grained models of hydrocarbons

Y An, KK Bejagam, SA Deshmukh - The Journal of Physical …, 2018 - ACS Publications
We have utilized an approach that integrates molecular dynamics (MD) simulations with
particle swarm optimization (PSO) to accelerate the development of coarse-grained (CG) …

Application of CP-PC-SAFT and PC-SAFT for Simultaneous Prediction of LLE and High-Pressure VLE with Universal k 12 Values in Systems of Gases and n-Alkanes …

A Fredj Elias, I Polishuk - Industrial & Engineering Chemistry …, 2024 - ACS Publications
This study examines the accuracy of the simplest polarity-and association-neglecting forms
of the critical point-based revision of perturbed chain-statistical association fluid theory (CP …

Giant absorption of light by molecular vibrations on a chip

A Karabchevsky, AV Kavokin - Scientific reports, 2016 - nature.com
Vibrational overtone spectroscopy of molecules is a powerful tool for drawing information on
molecular structure and dynamics. It relies on absorption of near infrared radiation (NIR) by …

Obtaining glycerol carbonate and glycols using thermomorphic systems based on glycerol and cyclic organic carbonates: Kinetic studies

J Esteban, AJ Vorholt - Journal of industrial and engineering chemistry, 2018 - Elsevier
Glycerol carbonate has mostly been synthesized by transesterification of glycerol with
dimethyl carbonate and ethylene carbonate. We propose to obtain it using propylene and …

Modeling the fluid phase behavior of amines, aromatic amines and their mixtures using the modified group-contribution PC-SAFT

D NguyenHuynh, TX Nguyen-Thi - Fluid Phase Equilibria, 2022 - Elsevier
The modified group-contribution PC-SAFT has been extended to model the fluid phase
behavior of amines containing mixtures. The importance of the polar and association terms …

Liquid–liquid equilibria for acetophenone+ n-alkane mixtures and characterization of acetophenone systems using DISQUAC

JA González, C Alonso-Tristán, IG de la Fuente… - Fluid Phase …, 2015 - Elsevier
Liquid–liquid equilibrium (LLE) temperatures have been determined for acetophenone+ CH
3 (CH 2) u CH 3 (u= 8, 10, 12, 14) mixtures by means of the opalescence method using a …

[HTML][HTML] Density, speed of sound, refractive index and relative permittivity of methanol, propan-1-ol or pentan-1-ol+ benzylamine liquid mixtures. Application of the …

F Hevia, V Alonso, A Cobos, JA González… - The Journal of Chemical …, 2022 - Elsevier
Densities (ρ), speeds of sound (c), relative permittivities at 1 MHz (ε r) and refractive indices
at the sodium D-line (n D) at T=(293.15 K to 303.15 K) and p= 0.1 MPa are reported for …

Thermodynamics of mixtures with strong negative deviations from Raoult's law. XIII. Relative permittivities for (1-alkanol+ cyclohexylamine) systems, and dielectric …

JA González, LF Sanz, IG de la Fuente… - The Journal of Chemical …, 2015 - Elsevier
Relative permittivities, ε r, at 1 MHz have been measured for (1-alkanol+ cyclohexylamine)
systems at T=(293.15 to 303.15) K and atmospheric pressure. The excess permittivity …