Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi

Cov txheej txheem:

Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi
Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi

Video: Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi

Video: Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi
Video: tuag rau txiv tub nkeeg. 2021-4-11 2024, Hlis ntuj nqeg
Anonim

Qhov sib txawv tseem ceeb ntawm Lennard Jones thiab Morse muaj peev xwm yog Lennard Jones muaj peev xwm muab qhov sib piv tsis raug thiab tsis tshua muaj kev piav qhia, thaum Morse muaj peev xwm muab cov lus piav qhia ntau dua thiab dav dav rau kev ua qauv cov khoom siv thiab kev sib cuam tshuam saum npoo.

Ob leeg Lennar Jones muaj peev xwm thiab Morse muaj peev xwm yog cov qauv muaj peev xwm tseem ceeb uas peb tuaj yeem siv los txiav txim siab kev sib cuam tshuam ntawm atoms lossis molecules.

Lennard Jones Potential yog dab tsi?

Lennar Jones muaj peev xwm yog ib hom kev sib xyaw ua ke muaj peev xwm. Nws tuaj yeem piav qhia tias lub zog muaj peev xwm ntawm kev sib cuam tshuam ntawm ob lub atoms lossis molecules uas tsis muaj kev sib raug zoo nyob ntawm kev sib cais. Qhov peev xwm no tau piav qhia thawj zaug los ntawm Sir John Edward Lennar-Jones.

Lennard Jones thiab Morse Potential - Sib piv ntawm Ib Sab
Lennard Jones thiab Morse Potential - Sib piv ntawm Ib Sab

Daim duab 01: Ib qho piv txwv ntawm Lennar Jones Muaj peev xwm Graph

Nrog rau lwm qhov muaj peev xwm sib txuas, lub peev xwm Lennar Jones yog qhov uas tau kawm ntau tshaj plaws. Peb tuaj yeem xav tias nws yog tus qauv archetype rau qhov yooj yim thiab muaj tseeb ntawm kev sib cuam tshuam. Qhov kev muaj peev xwm no tuaj yeem ua qauv kev sib cav sib ceg thiab ntxim nyiam. Yog li, nws nyiam piav qhia txog hluav taws xob nruab nrab atoms lossis molecules.

Lennar Jones muaj peev xwm yog tus qauv yooj yim uas tuaj yeem piav qhia qhov tseem ceeb ntawm kev sib cuam tshuam ntawm ob lossis ntau dua atoms lossis molecules. Ob qho kev sib cuam tshuam tuaj yeem cuam tshuam ib leeg ntawm ib qho nyob ze thiab tuaj yeem nyiam ib leeg ntawm qhov nruab nrab. Txawm li cas los xij, lawv tsis sib cuam tshuam ntawm qhov kev ncua deb.

Tsis tas li ntawd, peb tuaj yeem siv computer simulations thiab statistical mechanics los kawm txog Lennar Jones lub peev xwm thiab kom tau txais cov khoom siv thermophysical ntawm Lennard-Jones cov khoom. Peb tuaj yeem txhais tau ob qho tib si Lennar-jones muaj peev xwm thiab Lennard-jones cov khoom ua kom yooj yim tab sis muaj tseeb cov qauv uas tuaj yeem ntes cov ntsiab lus tseem ceeb ntawm lub cev, suav nrog qhov muaj qhov tseem ceeb thiab peb npaug taw tes, condensation, thiab khov.

Morse Potential yog dab tsi?

Morse muaj peev xwm yog tus qauv kev sib cuam tshuam yooj yim rau lub zog muaj peev xwm ntawm diatomic molecule. Nws yog thawj zaug piav los ntawm tus kws kho mob Phillip M. Morse. Nws muab qhov kwv yees zoo dua rau cov qauv vibrational ntawm lub molecule dua li quantum harmonic oscillator vim nws qhia meej txog qhov cuam tshuam ntawm kev sib tsoo, piv txwv li. lub hav zoov ntawm unbound xeev.

Lennard Jones vs Morse Potential hauv Tabular Form
Lennard Jones vs Morse Potential hauv Tabular Form

Daim duab 02: Daim duab qhia txog tus qauv Morse muaj peev xwm

Ntxiv mus, Morse muaj peev xwm tso nyiaj rau qhov tsis sib haum xeeb ntawm cov ntawv cog lus tiag tiag thiab qhov tsis yog xoom kev hloov pauv qhov tshwm sim rau kev tshaj tawm thiab kev sib txuas ua ke. Ntxiv mus, peb tuaj yeem siv tus qauv no rau lwm qhov kev sib cuam tshuam, suav nrog kev sib cuam tshuam ntawm atom thiab ib qho chaw. Nws yooj yim heev, uas ua rau nws tsis haum rau niaj hnub spectroscopy.

Qhov txawv ntawm Lennard Jones thiab Morse Potential yog dab tsi?

Ob leeg Lennar Jones muaj peev xwm thiab Morse muaj peev xwm yog cov qauv hluav taws xob tseem ceeb uas peb tuaj yeem siv los txiav txim siab kev sib cuam tshuam ntawm atoms lossis molecules. Qhov sib txawv tseem ceeb ntawm Lennard Jones thiab Morse muaj peev xwm yog tias Lennard Jones muaj peev xwm muab qhov sib piv tsis tshua muaj tseeb thiab tsis tshua muaj cov lus piav qhia, thaum Morse muaj peev xwm muab cov lus piav qhia meej dua thiab dav dav rau kev ua qauv cov khoom siv thiab kev sib cuam tshuam saum npoo.

Hauv qab no yog cov ntsiab lus ntawm qhov sib txawv ntawm Lennard Jones thiab Morse muaj peev xwm hauv daim ntawv teev npe rau ib sab ntawm kev sib piv.

Summary – Lennard Jones vs Morse Potential

Lennar Jones muaj peev xwm yog ib hom kev sib xyaw ua ke uas muaj peev xwm piav tau raws li lub zog muaj peev xwm ntawm kev sib cuam tshuam ntawm ob lub atoms tsis sib txuas lossis cov molecules nyob ntawm qhov kev sib cais. Morse peev xwm yog ib qho yooj yim interatomic qauv qauv rau lub peev xwm lub zog ntawm ib tug diatomic molecule. Qhov sib txawv tseem ceeb ntawm Lennard Jones thiab Morse muaj peev xwm yog tias Lennard Jones muaj peev xwm muab qhov sib piv tsis tshua muaj tseeb thiab tsis tshua muaj kev piav qhia, qhov Morse muaj peev xwm muab cov lus piav qhia meej dua thiab dav dav rau kev ua qauv cov khoom siv sib xyaw thiab kev sib tshuam saum npoo.

Pom zoo: