A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF 1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA
The method is based on the thermodynamic parameters of the molecules- standard molar Gibbs free energy change of molecular formation ΔGf0 (kJ/mol), standard molar enthalpy change of molecular formation ΔHf0 (kJ/mol) and standard molar entropy of molecule S0 (J/mol·K). From these thermodynamics param...
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Union of Scientists - Stara Zagora
2019-02-01
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| Series: | Science & Research |
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http://www.sandtr.org/download.php?id=48
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| author | Atanas Todorov Atanasov Antoniya Stefanova Petrova |
| author_facet | Atanas Todorov Atanasov Antoniya Stefanova Petrova |
| author_sort | Atanas Todorov Atanasov |
| collection | DOAJ |
| description | The method is based on the thermodynamic parameters of the molecules- standard molar Gibbs free energy change of molecular formation ΔGf0 (kJ/mol), standard molar enthalpy change of molecular formation ΔHf0 (kJ/mol) and standard molar entropy of molecule S0 (J/mol·K). From these thermodynamics parameters the vibrational modes in infrared diapason can be calculated using TG=ΔGf0/S0 and TH=ΔHf0/S0 ratios, considered as ‘apparent’ temperatures. After conversion of the thermal energy kTG or kTH (k is Boltzmann constant) to energy of electromagnetic quanta E=hν (h is Planck constant), an frequencies in infrared spectral range are derived 1/λ=kTG/ch (cm-1), where λ= c/ν (c is speed of light). The calculated frequencies coincide with the vibrational mode on infrared spectrum of given corresponding molecule. The difference between the theoretically calculated frequencies and the experimentally measured ones in the infrared spectra of the studied molecules is within 50 cm-1. |
| format | Article |
| id | doaj-art-812fcfcc51404ecfa3c9f9d3242835e4 |
| institution | DOAJ |
| issn | 2535-0765 |
| language | English |
| publishDate | 2019-02-01 |
| publisher | Union of Scientists - Stara Zagora |
| record_format | Article |
| series | Science & Research |
| spelling | doaj-art-812fcfcc51404ecfa3c9f9d3242835e42025-08-20T03:06:55ZengUnion of Scientists - Stara ZagoraScience & Research2535-07652019-02-0148A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF 1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRAAtanas Todorov AtanasovAntoniya Stefanova PetrovaThe method is based on the thermodynamic parameters of the molecules- standard molar Gibbs free energy change of molecular formation ΔGf0 (kJ/mol), standard molar enthalpy change of molecular formation ΔHf0 (kJ/mol) and standard molar entropy of molecule S0 (J/mol·K). From these thermodynamics parameters the vibrational modes in infrared diapason can be calculated using TG=ΔGf0/S0 and TH=ΔHf0/S0 ratios, considered as ‘apparent’ temperatures. After conversion of the thermal energy kTG or kTH (k is Boltzmann constant) to energy of electromagnetic quanta E=hν (h is Planck constant), an frequencies in infrared spectral range are derived 1/λ=kTG/ch (cm-1), where λ= c/ν (c is speed of light). The calculated frequencies coincide with the vibrational mode on infrared spectrum of given corresponding molecule. The difference between the theoretically calculated frequencies and the experimentally measured ones in the infrared spectra of the studied molecules is within 50 cm-1. http://www.sandtr.org/download.php?id=48 ir spectrumgibbs free energyenthalpyentropy |
| spellingShingle | Atanas Todorov Atanasov Antoniya Stefanova Petrova A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF 1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA Science & Research ir spectrum gibbs free energy enthalpy entropy |
| title | A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF
1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA |
| title_full | A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF
1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA |
| title_fullStr | A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF
1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA |
| title_full_unstemmed | A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF
1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA |
| title_short | A CORRELATION BETWEEN THE THERMODYNAMIC PARAMETERS OF
1-BUTANOL, 2-BUTANOL, l-PROPANOL MOLECULES AND THEIR INFRARED SPECTRA |
| title_sort | correlation between the thermodynamic parameters of 1 butanol 2 butanol l propanol molecules and their infrared spectra |
| topic | ir spectrum gibbs free energy enthalpy entropy |
| url |
http://www.sandtr.org/download.php?id=48
|
| work_keys_str_mv | AT atanastodorovatanasov acorrelationbetweenthethermodynamicparametersof1butanol2butanollpropanolmoleculesandtheirinfraredspectra AT antoniyastefanovapetrova acorrelationbetweenthethermodynamicparametersof1butanol2butanollpropanolmoleculesandtheirinfraredspectra AT atanastodorovatanasov correlationbetweenthethermodynamicparametersof1butanol2butanollpropanolmoleculesandtheirinfraredspectra AT antoniyastefanovapetrova correlationbetweenthethermodynamicparametersof1butanol2butanollpropanolmoleculesandtheirinfraredspectra |