Group contribution methods for coal-derived liquids: hydrogen solubilities using a UNIFAC approach

Hartoun Hartounian; David T. Allen

doi:10.1016/0016-2361(88)90203-7

Group contribution methods for coal-derived liquids: hydrogen solubilities using a UNIFAC approach

Hartoun Hartounian, David T. Allen

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

The solubility of hydrogen in a Wilsonville ITSL coal derived liquid was estimated using the UNIFAC group contribution method. Functional group concentrations estimated from analytical data were combined with literature values of group contribution parameters to provide reasonable estimates of hydrogen solubility. A sensitivity analysis indicated that the most significant structural features in determining hydrogen solubility were aromatic ring size, the length of alkyl substituents and the concentration of aromatic hydroxyl groups.

Original language	English (US)
Pages (from-to)	1609-1614
Number of pages	6
Journal	Fuel
Volume	67
Issue number	12
DOIs	https://doi.org/10.1016/0016-2361(88)90203-7
State	Published - Dec 1988
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemical Engineering
Fuel Technology
Energy Engineering and Power Technology
Organic Chemistry

Keywords

coal-derived liquid
hydrogenation
solubility

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10.1016/0016-2361(88)90203-7

Cite this

@article{c5fb3d16a17c4253af6ec0a39a76efc5,

title = "Group contribution methods for coal-derived liquids: hydrogen solubilities using a UNIFAC approach",

abstract = "The solubility of hydrogen in a Wilsonville ITSL coal derived liquid was estimated using the UNIFAC group contribution method. Functional group concentrations estimated from analytical data were combined with literature values of group contribution parameters to provide reasonable estimates of hydrogen solubility. A sensitivity analysis indicated that the most significant structural features in determining hydrogen solubility were aromatic ring size, the length of alkyl substituents and the concentration of aromatic hydroxyl groups.",

keywords = "coal-derived liquid, hydrogenation, solubility",

author = "Hartoun Hartounian and Allen, {David T.}",

note = "Funding Information: This work was prepared with the support of US Department of Energy Grant Number DE-FG22-86PC90508f rom the Pittsburgh Energy Technology Center.H owever,a ny opinions,f indings,c onclusionso r recommendationse xpressedh erein are those of the authorsa nd do not necessarilyre flectt he view of DOE.",

year = "1988",

month = dec,

doi = "10.1016/0016-2361(88)90203-7",

language = "English (US)",

volume = "67",

pages = "1609--1614",

journal = "Fuel",

issn = "0016-2361",

publisher = "Elsevier B.V.",

number = "12",

}

TY - JOUR

T1 - Group contribution methods for coal-derived liquids

T2 - hydrogen solubilities using a UNIFAC approach

AU - Hartounian, Hartoun

AU - Allen, David T.

N1 - Funding Information: This work was prepared with the support of US Department of Energy Grant Number DE-FG22-86PC90508f rom the Pittsburgh Energy Technology Center.H owever,a ny opinions,f indings,c onclusionso r recommendationse xpressedh erein are those of the authorsa nd do not necessarilyre flectt he view of DOE.

PY - 1988/12

Y1 - 1988/12

N2 - The solubility of hydrogen in a Wilsonville ITSL coal derived liquid was estimated using the UNIFAC group contribution method. Functional group concentrations estimated from analytical data were combined with literature values of group contribution parameters to provide reasonable estimates of hydrogen solubility. A sensitivity analysis indicated that the most significant structural features in determining hydrogen solubility were aromatic ring size, the length of alkyl substituents and the concentration of aromatic hydroxyl groups.

AB - The solubility of hydrogen in a Wilsonville ITSL coal derived liquid was estimated using the UNIFAC group contribution method. Functional group concentrations estimated from analytical data were combined with literature values of group contribution parameters to provide reasonable estimates of hydrogen solubility. A sensitivity analysis indicated that the most significant structural features in determining hydrogen solubility were aromatic ring size, the length of alkyl substituents and the concentration of aromatic hydroxyl groups.

KW - coal-derived liquid

KW - hydrogenation

KW - solubility

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U2 - 10.1016/0016-2361(88)90203-7

DO - 10.1016/0016-2361(88)90203-7

M3 - Article

AN - SCOPUS:0024124311

SN - 0016-2361

VL - 67

SP - 1609

EP - 1614

JO - Fuel

JF - Fuel

IS - 12

ER -

Group contribution methods for coal-derived liquids: hydrogen solubilities using a UNIFAC approach

Abstract

All Science Journal Classification (ASJC) codes

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