Eutectic systems offer a wide range of new (green) designer solvents for diverse applications. However, due to the large pool possible compounds, selecting compounds that form eutectic is not straightforward. In this study, simple approach preselecting candidates from substances sharing same chemical functionality was presented. First, melting entropy single correlated with their molecular structure calculate enthalpy. Subsequently, temperature screened binary qualitatively predicted, and...

Choline chloride (ChCl)-based deep eutectic solvents (DESs) are emerging as promising environmentally friendly alternatives to conventional organic across various applications. However, their relatively high viscosity necessitates careful assessment before implementation. This work proposes an approach modeling the of ChCl-based DESs and mixtures with water using Grunberg–Nissan mixing rule. We assumed that hypothetical liquid ChCl could be calculated by Vogel–Fulcher–Tammann (VFT) model....

Deep eutectic solvents (DESs) are promising and sustainable substitutes for organic in various applications. The knowledge of their density viscosity at different temperatures pressures is crucial the corresponding process design. However, most literature primarily focuses on predicting these properties atmospheric pressure. In this study, we employed perturbed chain polar statistical associating fluid theory (PCP-SAFT) model entropy scaling method to predict DESs' elevated pressures. 2831...

Deep eutectic solvents (DESs) have gained significant attention as green for liquid–liquid extraction applications. Predictive thermodynamic models can identify suitable DESs a specific separation problem. To this end, we conducted comprehensive evaluation of the conductor-like screening model real (COSMO-RS) to predict equilibrium (LLE) in systems containing DESs. The TZVP and TZVPD-FINE parameter sets COSMO-RS were considered, salts modeled associated or fully dissociated ions. results...

Oleaginous microorganisms are promising for the biotechnological production of valuable hydrophobic bioactive components. For an environmentally friendly extraction, we evaluated a two-step process β-carotene and lipid isolation from wet Rhodosporidium toruloides biomass using biphasic green biobased solvent systems: 2-methyl tetrahydrofuran (2-MeTHF) or cyclopentyl-methyl-ether (CPME) with ethanol 1-butanol water. Initially, components were extracted single-phase mixture, followed by...

Abstract One of the first applications Simulated Moving Bed (SMB) technology was in p‐xylene recovery from mixed xylenes. The three main industrial processes for separation xylenes based on SMB are: UOP's Parex, IFP's Eluxyl, and Toray's Aromax. These units operate liquid phase (T = 180°C P 9 bar), achieving high almost pure with on‐stream efficiency extended adsorbent life. In this work, scale process is investigated modeling, simulation, optimization points view, using experimentally...

Deep eutectic solvents (DES) have gained a reputation as inexpensive and easy to handle ionic liquid analogues. This work employs molecular dynamics (MD) simulate variety of DES. The hydrogen bond acceptor (HBA) choline chloride was paired with the donors (HBD) glycerol, 1,4-butanediol, levulinic acid. Levulinic acid also zwitterionic HBA betaine. In order evaluate reliability data MD simulations can provide for DES, two force fields were compared: Merck Molecular Force Field General Amber...

After adsorption and penetration, a virus hijacks cell's metabolic machinery uses it as medium for its reproduction growth through multiplication. Growth is competitive, since the same precursors are used by both host cell. But what drives to perform life cycle more efficiently than host? Gibbs energy represents driving force all chemical reactions in nature. Therefore, hypothetically of can represent viral lytic cycle. characterization 17 viruses their hosts, this paper, were suggested,...

The current situation with the SARS-CoV-2 pandemic indicates importance of new approaches in vaccine design. In order to design attenuated vaccines, decrease virulence virus wild types, it is important understand what allows a hijack its host cell's metabolism, property all viruses. RNA and protein sequences obtained from databases were used count number atoms each element virions SARS, MERS SARS-CoV-2. copies carbohydrate composition taken literature. lipid molecules was estimated envelope...

The industrial-scale adsorptive separation of p-xylene from a mixture C8 aromatics in four-section simulated moving bed (SMB) unit is analyzed through simulation. In the order to describe behavior SMB by means mathematical model, two approaches were used: true (TMB) approach and approach. Both assume constant selectivity nonstoichiometric Langmuir isotherm, an axial dispersion for fluid flow, linear driving force intraparticle mass transfer. TMB model predictions steady-state performance are...

Abstract The aim of this work is to study the effectiveness regional, low-cost natural clinoptilolitic zeolite tuff in heavy metal ions removal from aqueous solution, through comparative with commercial granulated activated carbon. equilibrium adsorption Cd2+, Pb2+, and Zn2+ on both adsorbents have been determined at 25, 35, 45°C batch mode. carbon has shown around three times higher capacity for Cd2+ than zeolite, almost same Pb2+ as zeolite. ion selectivity series > Zn2+, a mass basis,...

The microalgae Haematococcus pluvialis (H. pluvialis) is used for biotechnological production of the red carotenoid astaxanthin. Astaxanthin synthesis involves formation a rigid cell wall that impedes direct astaxanthin extraction into solvent. During subsequent downstream processing, algal broth harvested by centrifugation, dried and mechanically disrupted; finally, extracted with supercritical CO2. In this study, an alternative process was established, using liquid-liquid chromatographic...

Deep eutectic solvents (DESs) are potential alternatives to many conventional in process applications. Knowledge and understanding of solid-liquid equilibria (SLE) essential characterize, design, select a DES for specific application. The present study highlights the main aspects that should be taken into account yield better modeling, prediction, SLE DESs. work is comprehensive parameters required thermodynamic modeling SLE-i.e., melting properties pure constituents their activity...

This paper reports empirical formulas, enthalpies of formation, molar entropies, Gibbs energies and heat capacities at 25?C 37?C for human soft tissues. The results show that energy, except certain tissues (adipose), is relatively low compared with the constituent elements, average value being ?17.57 kJ/C-mol. constant pressure capacity hydrated body 3.24 J/gK in agreement other data literature.

Biological, physical and chemical interaction between one (or more) microorganisms a host organism, causing cell damage, represents an infection. Infection of plant, animal or microorganism with virus can prevent infection another virus. This phenomenon is known as viral interference. Viral interference shown to result from two types interactions, taking place at the surface other intracellularly. Various viruses use different receptors enter same cell, but various strains receptor. The rate...

Solid–liquid equilibria (SLE) of the l-menthol/thymol eutectic system were studied in detail using a combination differential scanning calorimetry (DSC) and powder X-ray diffraction (XRD). The existence two cocrystals with stoichiometric ratios 1:3 3:2 for l-menthol:thymol was monitored by performing XRD on samples different compositions. Moreover, solid solution regions l-menthol thymol cocrystal observed. nonrandom two-liquid (NRTL) two-suffix Margules models applied to model measured SLE...