An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures

ISSN:
1572-9567
Keywords:
entrainer ; FTIR ; hydrogen bonding ; supercritical
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
Type of Medium:
Electronic Resource
URL:
_version_ 1798296475918139395
autor Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
autorsonst Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
book_url http://dx.doi.org/10.1007/BF00503864
datenlieferant nat_lic_papers
hauptsatz hsatz_simple
identnr NLM197391680
issn 1572-9567
journal_name International journal of thermophysics
materialart 1
notes Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
package_name Springer
publikationsjahr_anzeige 1990
publikationsjahr_facette 1990
publikationsjahr_intervall 8009:1990-1994
publikationsjahr_sort 1990
publisher Springer
reference 11 (1990), S. 119-132
schlagwort entrainer
FTIR
hydrogen bonding
supercritical
search_space articles
shingle_author_1 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
shingle_author_2 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
shingle_author_3 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
shingle_author_4 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
shingle_catch_all_1 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
entrainer
FTIR
hydrogen bonding
supercritical
entrainer
FTIR
hydrogen bonding
supercritical
Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
1572-9567
15729567
Springer
shingle_catch_all_2 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
entrainer
FTIR
hydrogen bonding
supercritical
entrainer
FTIR
hydrogen bonding
supercritical
Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
1572-9567
15729567
Springer
shingle_catch_all_3 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
entrainer
FTIR
hydrogen bonding
supercritical
entrainer
FTIR
hydrogen bonding
supercritical
Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
1572-9567
15729567
Springer
shingle_catch_all_4 Walsh, J. M.
Greenfield, M. L.
Ikonomou, G. D.
Donohue, M. D.
An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
entrainer
FTIR
hydrogen bonding
supercritical
entrainer
FTIR
hydrogen bonding
supercritical
Abstract In chemical separation processes such as supercritical extraction the use of an entrainer cosolvent can dramatically improve selectivity and yield. Ideally, in an extraction process, an entrainer cosolvent should complex with only the desired solute, pulling it from the feed. But not all cosolvents are entrainers, and a cosolvent that is effective in one application may not be effective in others. Often, competing hydrogen bonding interactions limit the effectiveness of an entrainer cosolvent. In this paper FTIR spectroscopy is used to study hydrogen bonding competition in solute/solvent/entrainer cosolvent mixtures. The extent of hydrogen bonding is determined from analysis of hydrogen-bonded and non-hydrogen-bonded infrared absorption peaks. Since these peaks overlap, curvefitting and Fourier self-deconvolution techniques are used to resolve them. Concentrations of monomeric and hydrogen-bonded species are modeled using the associated perturbed anisotropic chain theory (APACT). Using APACT it is shown that the equilibrium constant, derived from activities, can be written as the product of a temperature-dependent term and the ratio of concentrations: K=(RT) vIIC i vi . This gives a statistical mechanical basis for the empirical observation that for hydrogen-bonding equilibria, the ratio of concentrations is approximately equal to the ratio of activities.
1572-9567
15729567
Springer
shingle_title_1 An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
shingle_title_2 An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
shingle_title_3 An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
shingle_title_4 An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
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source_archive Springer Online Journal Archives 1860-2000
timestamp 2024-05-06T09:52:42.063Z
titel An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
titel_suche An FTIR spectroscopic study of hydrogen-bonding competition in entrainer-cosolvent mixtures
topic U
uid nat_lic_papers_NLM197391680