Selected Physicochemical Properties of Hexamethylcyclotrisiloxane, Octamethylcyclotetrasiloxane, and Decamethylcyclopentasiloxane

and, Marcela Palczewska-Tulińska†; Oracz, Paweł

doi:10.1021/je050173+

Cited by 30 publications

(42 citation statements)

References 26 publications

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“…The main sources of experimental viscosity data have been the collective papers of Suzuki et al [5,7] and Katritzky et al [6], supplemented by more recently published experimental results for alkanes [11,12,13,14], haloalkanes [15,16], alkanols [17,18,19,20], alkylamines [21,22,23,24], aminoalcohols [25,26,27], ethers [28,29], aminoethers [30], acetals [31], ketones [32], esters [33,34,35,36,37,38,39,40,41,42,43], hydroxyesters [44,45], carbonate esters [46], and amides [47,48,49,50,51,52]. Beyond these, experimental data have been added for compounds with atom groups that have not yet been represented in the parameters table: phosphoric acid esters [53,54,55], phosphoric acid amides [56], siloxanes [57] and in particular ionic liquids [32,58,59,60,61,62,63,64,65,…”

Section: Resultsmentioning

confidence: 99%

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Naef

Acree

2017

Molecules

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The application of a commonly used computer algorithm based on the group-additivity method for the calculation of the liquid viscosity coefficient at 293.15 K and the activity coefficient at infinite dilution in water at 298.15 K of organic molecules is presented. The method is based on the complete breakdown of the molecules into their constituting atoms, further subdividing them by their immediate neighborhood. A fast Gauss–Seidel fitting method using experimental data from literature is applied for the calculation of the atom groups’ contributions. Plausibility tests have been carried out on each of the calculations using a ten-fold cross-validation procedure which confirms the excellent predictive quality of the method. The goodness of fit (Q2) and the standard deviation (σ) of the cross-validation calculations for the viscosity coefficient, expressed as log(η), was 0.9728 and 0.11, respectively, for 413 test molecules, and for the activity coefficient log(γ)∞ the corresponding values were 0.9736 and 0.31, respectively, for 621 test compounds. The present approach has proven its versatility in that it enabled the simultaneous evaluation of the liquid viscosity of normal organic compounds as well as of ionic liquids.

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Section: Resultsmentioning

confidence: 99%

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Naef

Acree

2017

Molecules

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“…The method of Chung et al (Chung et al, 1988) was used to estimate the Lennard-Jones parameters. Several sets (Abbas et al, 2011;Hurd, 1946;Marsh, 1968;Palczewska-Tulinska & Oracz, 2005;Wilcock, 1946) of liquid viscosity data, all limited to atmospheric pressure, were used to obtain the coefficients in Table 2. No gas-phase data were found.…”

Section: Octamethylcyclotetrasiloxane (D4)mentioning

confidence: 99%

“…There are no data in the vapor phase available for comparison, but based on other members of the siloxane family, we estimate 10 % uncertainty for the vapor-phase viscosity. For the liquid phase, the data from two liquid-phase data sets (Abbas et al, 2011;Palczewska-Tulinska & Oracz, 2005) were fit to obtain the coefficients in Table 3. Parameters for the critical enhancement are presented in Table 4.…”

Section: Decamethylcyclopentasiloxane (D5)mentioning

confidence: 99%

Models for viscosity, thermal conductivity, and surface tension of selected pure fluids as implemented in REFPROP v10.0

Huber¹

2018

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We describe models for the viscosity, thermal conductivity, and surface tension for selected fluids implemented in version 10.0 of the NIST computer program, NIST Standard Reference Database 23, also known as NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP). These fluids do not presently have published reference fluid quality models in the open literature, so we provide preliminary models based on available data as an interim measure to allow calculations of these properties. Comparisons with available experimental data are given.

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“…The dynamic viscosity was measured using Falling-Ball Viscometer based on the measuring principle by Hoeppler (VEB MLW, Lesskestrabe, Germany), as described by Palczewska-Tulinska and Oracz [30], with modifications. In this viscometer is employed the rolling-ball principle, which it uses gravity as the driving force.…”

Section: Dynamic Viscositymentioning

confidence: 99%

The Impact of the Block Freeze Concentration Process on Human Milk Properties Intended for Feeding Newborns

Berenhauser¹,

Canella²,

Muñoz³

et al. 2017

FNS

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Human milk is the ideal nutritional support for premature neonates. Considering the need for aggregating nutritional value to human milk provided to such vulnerable group of infants, human milk was concentrated by the block freeze concentration technique. The effects of freeze concentration on the physicochemical properties, the efficiency of the process, color parameters, and the density and dynamic viscosity of human milk were assessed. The freeze concentration technology was used to successfully concentrate human milk to a factor equal to 180.48% and 72% of total solid retention in the second stage of freeze concentration. The values observed in the concentrates for the biochemical properties showed that the fraction of concentrated fluid human milk of the second stage (C2) presented elevated amounts of carbohydrates, protein and energy. The elevated caloric value observed in the ice fraction of the first stage (I1) refers to the retention of lipids in it. When added to human milk, C2 and I1 may satisfy the special requisites of nutrients and energy to guarantee the growth and development of preterm neonates.

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Selected Physicochemical Properties of Hexamethylcyclotrisiloxane, Octamethylcyclotetrasiloxane, and Decamethylcyclopentasiloxane

Cited by 30 publications

References 26 publications

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Application of a General Computer Algorithm Based on the Group-Additivity Method for the Calculation of Two Molecular Descriptors at Both Ends of Dilution: Liquid Viscosity and Activity Coefficient in Water at Infinite Dilution

Models for viscosity, thermal conductivity, and surface tension of selected pure fluids as implemented in REFPROP v10.0

The Impact of the Block Freeze Concentration Process on Human Milk Properties Intended for Feeding Newborns

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