Thermodynamic Morphological Study of Liquid Crystalline Compounds

Parashiva Murthy Srinivas, Jade Madegowda Mahadeva, Kapanigowda Hemalatha, Mysore Basavaraju Nandaprakash and Rudrappa Somashekar
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Parashiva Murthy Srinivas: Sri Mahadeshwara GFGC, India.
Jade Madegowda Mahadeva: PET Research Foundation, India.
Kapanigowda Hemalatha: Maharani’s Science College for Women, India.
Mysore Basavaraju Nandaprakash: Karnataka State Open University, India.
Rudrappa Somashekar: University of Mysore, India

European Journal of Applied Physics, 2022, vol. 4, issue 6, 26-33

Abstract: Thermodynamic morphism study has been envisaged using search procedure of phase space of polymorphs at a prescribed temperature and pressure(NPT) of several azoxybenzenes based liquid crystalline compounds at room temperature using molecular structure, unit cell information and AMOEBA parameters employing Force Field computation (FFX) calculations. These calculations were carried out at various intermolecular strengths to understand the morphological walk of molecules with corresponding changes in free energy, change in a force field with a strength of the interactions and free energy difference between successive interaction strengths. This study will help us to understand the nature, range and type of mesophase in a series of azoxybenzene compounds.

Keywords: Liquid crystalline phase; Modelling; Molecular dynamics; Physical parameters (search for similar items in EconPapers)
Date: 2022
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Persistent link: https://EconPapers.repec.org/RePEc:epw:physic:v:4:y:2022:i:6:id:11224

DOI: 10.24018/ejphysics.2022.4.6.224

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