Density and Viscosity for a Binary Mixture of Ethyl Valerate and Hexyl Acetate with 1-Pentanol and 1-Hexanol at 293.15 K, 303.15 K, and 313.15 K

Indraswati, Nani; Mudjijati,; Wicaksana, Filicia; Hindarso, Herman; Ismadji, Suryadi

doi:10.1021/je0001431

Cited by 47 publications

(20 citation statements)

References 9 publications

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“…In the present study the viscosity coefficients have been transformed into their decimal logarithm and entered into the group-additivity calculation as log(η). 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,…”

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 accuracy in the viscosity measurement was estimated as better than 0.004 mPa·s. More details about the viscosity measurements are given elsewhere …”

Section: Methodsmentioning

confidence: 99%

Measurements of Density and Viscosity of Binary Mixtures of Several Flavor Compounds with 1-Butanol and 1-Pentanol at 293.15 K, 303.15 K, 313.15 K, and 323.15 K

et al. 2001

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Density and viscosity for binary mixtures of four flavor compounds (benzyl acetate, 2-ethylhexyl acetate, benzaldehyde, and pentyl acetate) with 1-butanol and 1-pentanol over the whole composition range have been measured at four different temperatures (293.15, 303.15, 313.15, and 323.15 K) and atmospheric pressure. The excess molar volume (V E ) and viscosity deviations (∆η L ) were calculated and fitted to a Redlich-Kister type polynomial relation.

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“…Molecular structures of these molecules are shown in Fig. 2 and their physical properties are listed in Appendix I [25][26][27][28][29] . Fig.…”

Section: Fuel Molecules Investigatedmentioning

confidence: 99%

Compression Ignition and Exhaust Gas Emissions of Fuel Molecules Which Can Be Produced from Lignocellulosic Biomass: Levulinates, Valeric Esters, and Ketones

2015

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This paper presents the results of combustion experiments conducted in a single cylinder compression ignition engine with several fuel molecules which can be produced from lignocellulosic biomass through a variety of processing routes. The lignocellulosic fuel 2 molecules tested were ethyl levulinate, butyl levulinate, ethyl valerate, butyl valerate, pentyl valerate, 5-nonanone, 3-heptanone, dipentyl ether and three alkanes. To ensure reliable compression ignition of all of the molecules, all of the molecules were tested after adding 30 wt-% of heptane to them. Levulinates were observed to have longer ignition delays than valeric esters, which in turn had longer ignition delays compared to ketones. All of the tested oxygenated molecules ignited later than the corresponding alkanes, excluding dipentyl ether. The differences in ignition delays where mainly attributed to the higher electronegativity of oxygen atoms compared to that of carbon and hydrogen atoms. The tested molecules, excluding 3heptanone, had similar engine efficiency than to that of diesel fuel. However, the oxygenated fuel molecules resulted in higher NOx emissions and higher number of small particulates in exhaust gas emissions compared to alkanes and diesel fuel.

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Density and Viscosity for a Binary Mixture of Ethyl Valerate and Hexyl Acetate with 1-Pentanol and 1-Hexanol at 293.15 K, 303.15 K, and 313.15 K

Cited by 47 publications

References 9 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

Measurements of Density and Viscosity of Binary Mixtures of Several Flavor Compounds with 1-Butanol and 1-Pentanol at 293.15 K, 303.15 K, 313.15 K, and 323.15 K

Compression Ignition and Exhaust Gas Emissions of Fuel Molecules Which Can Be Produced from Lignocellulosic Biomass: Levulinates, Valeric Esters, and Ketones

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