Critical temperatures of some organo cyclic compounds

Cheng, Donghao; McCoubrey, J. C.; Phillips, Douglas

doi:10.1039/tf9625800224

Cited by 29 publications

(6 citation statements)

References 7 publications

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“…34 For the furan critical temperature two literature sources are available. 34,35 These literature values are within the experimental uncertainty of this work.…”

Section: Resultssupporting

confidence: 77%

“…This work presents a critical pressure value for furan, which has lower uncertainty than the only value previously reported . For the furan critical temperature two literature sources are available. , These literature values are within the experimental uncertainty of this work.…”

Section: Resultssupporting

confidence: 49%

“… a The combined expanded uncertainties of temperature and pressure in this work were calculated using the coverage factor, k = 2. The uncertainty is composed of effect of repeat visual determinations of the critical point and the uncertainty of the measurement devices (pressure and temperature). b Reference . c Reference . d Reference . …”

Section: Resultsmentioning

confidence: 99%

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110th Anniversary: Critical Properties and High Temperature Vapor Pressures for Furan, 2-Methylfuran, 2-Methoxy-2-methylpropane, 2-Ethoxy-2-methylbutane, n-Hexane, and Ethanol and Bubble Points of Mixtures with a New Apparatus

Uusi–Kyyny

Qureshi

Pokki

et al. 2019

Ind. Eng. Chem. Res.

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A new improved apparatus is presented for measurements of critical points and vapor pressures of pure compounds. Additionally, with this apparatus it is possible to measure bubble and critical points of mixtures. The experimental temperature range is from 298 K to 673 K and the experimental pressure range is from 0 to a maximum of 20 MPa. Measurements of pure component vapor pressures and critical points are presented for ethanol, n-hexane, furan, 2-methylfuran, 2-methoxy-2-methylpropane (MTBE), and 2-ethoxy-2-methylbutane (TAEE). The measured properties are compared to literature data if available. The vapor pressure correlation of Wagner is used to correlate the measured vapor pressure data.Measurements of critical and bubble point of mixtures are presented for the ethanol + nhexane system and are well in-line with literature data. Bubble and critical point measurements are presented for the furan + n-hexane mixture, where no literature data is available. The measured bubble points of mixtures are modelled with the Soave-Redlich-Kwong equation of state. The optimization of its binary interaction parameters is based on the bubble point measurements enabling the modeling of the critical loci of the mixture.

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“…34 For the furan critical temperature two literature sources are available. 34,35 These literature values are within the experimental uncertainty of this work.…”

Section: Resultssupporting

confidence: 77%

Section: Resultssupporting

confidence: 49%

Section: Resultsmentioning

confidence: 99%

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110th Anniversary: Critical Properties and High Temperature Vapor Pressures for Furan, 2-Methylfuran, 2-Methoxy-2-methylpropane, 2-Ethoxy-2-methylbutane, n-Hexane, and Ethanol and Bubble Points of Mixtures with a New Apparatus

Uusi–Kyyny

Qureshi

Pokki

et al. 2019

Ind. Eng. Chem. Res.

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“…Tetragonality of bcc-Fe as a function of carbon content. Solid marks show the calculated results, and the line show the experimental data approximated by a linear relationship6) .…”

mentioning

confidence: 99%

First-Principles Calculation of the Effects of Carbon on Tetragonality and Magnetic Moment of BCC-Fe

Ohtsuka

Dinh²,

Ohno

et al. 2014

Tetsu-to-Hagane

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Theeffectsofcarboncontentontetragonalityandmagneticmomentofbccironhavebeenevaluatedbyfirst-principlescalculation.Three kinds of supercells, Fe 54 C 1 , Fe 54 C 2 and Fe 128 C 1 (which correspond to Fe-0.40C, Fe-0.79 and Fe-0.17C mass%, respectively) are used for the calculation of tetragonality and magnetic moment of Fe-C system. Main results obtained are as follows. (1) The total energy and mechanical energy of the Fe-C system with carbon atom at the octahedral sites are smaller than those with carbon atom at the tetragonal sites. The carbon atomatoctahedralsiteproducesfairlylargeexpansioninonedirection.(2)TetragonalityofFe-Csystemobtainedbyfirst-principlescalculation increases linearly with increasing carbon content and agrees well with experimental results. The average magnetic moment of an Fe atom increases with increasing carbon content. (3) The magnetic moment of an Fe atom at the nearest neighbor of carbon atom is lower than that of pure iron and increases with increasing distance between the iron and carbon atoms. The projected density of states shows a hybridization with main contributions from Fe d and C p states which leads to the above mentioned decrease of the magnetic moment of an Fe atom. (4) In Fe 54 C 2 , tetragonality and magnetic moment of iron atom change with the distance between two carbon atoms. The value of tetragonality iseither0.981,1.036or1.090.Whenthedumbbellstructurewhichconsistsofthefirstcarbonatomanditstwonearestneighborironatoms is perpendicular to the second dumbbell structure which consists of the second carbon atom and its two nearest neighbor iron atoms, the te-tragonalityis0.981anddoesnotagreewithexperimentalvalue.Themechanicalenergyisrelativelylarge.Ontheotherhand,whenthefirst dumbbell structure is parallel to the second dumbbell structure, the tetragonality is 1.036 which agrees well with experimental data. The mechanical energy is relatively small. When straight C-Fe-C pair is formed, tetragonality is 1.090. (5) In Fe 54 C 2 , formation enthalpy is relatively low when the calculated tetragonality is 1.036, and the existence probability under the assumption of Boltzmann distribution is high. In other cases, the existence probability is nearly zero. (6) The average magnetic moment of an Fe atom is proportional to volume, but not in a clear relation with tetragonality. It is considered that the increase of magnetic moment of an Fe atom by the addition of carbon atom is mainly due to the magneto-volume effect but not due to the tetragonality effect.

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“…In this work, n-octane is examined from -15°to 85°C at pressures from atmospheric to near freezing. 1 To whom correspondence should be addressed.…”

Section: Methodsmentioning

confidence: 99%

Vapor-liquid equilibriums in binary aromatic-olefin systems

Prausnitz¹,

Vera²

1971

J. Chem. Eng. Data

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Critical temperatures of some organo cyclic compounds

Cited by 29 publications

References 7 publications

110th Anniversary: Critical Properties and High Temperature Vapor Pressures for Furan, 2-Methylfuran, 2-Methoxy-2-methylpropane, 2-Ethoxy-2-methylbutane, n-Hexane, and Ethanol and Bubble Points of Mixtures with a New Apparatus

110th Anniversary: Critical Properties and High Temperature Vapor Pressures for Furan, 2-Methylfuran, 2-Methoxy-2-methylpropane, 2-Ethoxy-2-methylbutane, n-Hexane, and Ethanol and Bubble Points of Mixtures with a New Apparatus

First-Principles Calculation of the Effects of Carbon on Tetragonality and Magnetic Moment of BCC-Fe

Vapor-liquid equilibriums in binary aromatic-olefin systems

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