scholarly journals Self-assembly of Palm Kernel Oil Wax Esters in Aqueous Media: A Molecular Dynamics Study

2015 ◽  
Vol 7 (1) ◽  
pp. 133 ◽  
Author(s):  
Roghayeh Abedi Karjiban ◽  
Qiu-Yi Huan ◽  
Mohd Basyaruddin Abdul Rahman ◽  
Mahiran Basri ◽  
Bimo Ario Tejo
Keyword(s):  
Molecular Dynamics ◽  
Self Assembly ◽  
Md Simulation ◽  
Palm Kernel ◽  
The Self ◽  
Wax Esters ◽  
Palm Kernel Oil ◽  
Kernel Oil ◽  
Nano Emulsion ◽  
Insight Into

<p>Experimentally determined phase diagram of palm kernel oil-based wax esters (PKOEs) nano-emulsion was selected to explore an atomic insight into the self-assembly of PKOEs nano-emulsion using molecular dynamics (MD) simulation technique. A model system including PKOEs molecules and nonionic Tween80 surfactant in aqueous solution was prepared. We used MD to explore a detail atomic insight into the self-assembly process of and the shape of the micelle formed. MD simulation was performed for 20 ns. MD results involving the radius of gyration, the solvent accessible surface areas, the number of clusters formed, and the moment of inertia analysis revealed that the model prepared showed a stable prolate ellipsoid shape. <strong> </strong></p><p> </p>

scholarly journals Interaction of palm kernel oil esters with ibuprofen in nanoemulsion drug by molecular dynamics simulation

2019 ◽  
Vol 10 ◽  
Author(s):  
Nur Hana Faujan ◽  
Mohd Basyaruddin Abdul Rahman ◽  
Mahiran Basri ◽  
Roghayeh Abedi Karjiban
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Palm Kernel ◽  
Dynamics Simulation ◽  
Palm Kernel Oil ◽  
Kernel Oil

scholarly journals WAX ESTERS PRODUCTION BY ALCOHOLYSIS OF PALM OIL FRACTIONS

2010 ◽  
Vol 8 (3) ◽  
pp. 356-362 ◽  
Author(s):  
Erin Ryantin Gunawan ◽  
Dedy Suhendra
Keyword(s):  
Reaction Time ◽  
Palm Oil ◽  
Palm Kernel ◽  
Reaction System ◽  
Wax Esters ◽  
Molar Ratio ◽  
Wax Ester ◽  
Palm Kernel Oil ◽  
Kernel Oil ◽  
Oil Fractions

The lipase synthesis of wax esters using palm oil fractions (palm oil and palm kernel oil) and long chain alcohol as substrates was carried out. The present work focuses on the synthesis of wax esters using Lipozyme. Five parameters such as reaction time, temperature, amount of enzyme, molar ratio of substrates and various organic solvents of the reaction system were investigated. The optimum yields were achieved at the reaction temperature of 40 - 50 °C for palm oil (PO) and 40 °C for palm kernel oil (PKO) alcoholysis, a reaction time of 5 - 7 h for PO and 7 - 10 h for PKO alcoholysis, 0.15 g of enzyme for both PO and PKO alcoholysis, molar ratio at 3:1 (alcohol: PO or PKO), and the best solvent for the reactions was hexane. Percentage yields of esters obtained at these optimum reaction conditions was 83% refined, bleached and deodorized (RBD) palm oil alkoholysis and 87% for RBD palm kernel oil alcoholysis respectively   Keywords: palm oil, palm kernel oil, enzymatic, alcoholysis, wax ester, oleyl alcohol

Kinetics Studies of Epoxidation and Oxirane Cleavage-Epoxidized Palm Kernel Oil

2020 ◽  
Vol 13 (3) ◽  
pp. 232-240
Author(s):  
Mohd Jumain Jalil ◽  
Aliff Farhan Mohd Yamin ◽  
Mohd Saufi Md Zaini ◽  
Veronique Gloria V. Siduru ◽  
Norhashimah Morad ◽  
...  
Keyword(s):  
Fatty Acids ◽  
Reference Material ◽  
Palm Kernel ◽  
High Yield ◽  
Simulation Data ◽  
Kinetic Rate ◽  
Palm Kernel Oil ◽  
Kinetics Studies ◽  
Kernel Oil ◽  
Oxirane Cleavage

Background: Studies pertaining to the epoxidation of fatty acids, garnered much interest in recent years due to the rising demand of eco-friendly epoxides derived from vegetable oils. Methods: Epoxide is an important chemical precursor for the production of alcohols, glycols and polymers, like polyesters and epoxy resin. Epoxidation is the name given to the reaction when the double bonds are converted into epoxide. Results: Temperature at 55oC was used as a reference material in the epoxide process, as it produces a high yield epoxide being 88%. The kinetic rate of epoxidized palm kernel oil, k was obtained to be k11= 0.5125, k12= 0.05045, k21= 0.03185, k41= 0.01 and k51= 0.01243. Conclusion: Hence, by fitting the result with the experimental work and simulation, the summation of error being stimulated by I-sight simulation was 0.731116428 and the correlation between the experimental and simulation data was 0.925544.

scholarly journals Production of biolubricant samples from palm kernel oil using different chemical modification approaches

2021 ◽  
Author(s):  
Samuel O. Egbuna ◽  
Ukeh J. Nwachukwu ◽  
Chinedu M. Agu ◽  
Christain O. Asadu ◽  
Bernard Okolo
Keyword(s):  
Chemical Modification ◽  
Palm Kernel ◽  
Palm Kernel Oil ◽  
Kernel Oil

Coarse-grained simulation of the self-assembly of lipid vesicles concomitantly with novel block copolymers with multiple tails

Soft Matter ◽  
2021 ◽  
Author(s):  
Alexander Kantardjiev
Keyword(s):  
Molecular Dynamics ◽  
Block Copolymers ◽  
Self Assembly ◽  
Lipid Vesicles ◽  
The Self ◽  
Coarse Grained ◽  
Copolymer Concentration ◽  
Copolymer Structure ◽  
Coarse Grained Molecular Dynamics

We carried out a series of coarse-grained molecular dynamics liposome-copolymer simulations with varying extent of copolymer concentration in an attempt to understand the effect of copolymer structure and concentration on vesicle self-assembly and stability.

scholarly journals Variation of Interaction Zone Size For The Target Design of 2D Supramolecular Networks

2021 ◽  
Author(s):  
Łukasz Piotr Baran ◽  
Wojciech Rżysko ◽  
Dariusz Tarasewicz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Self Assembly ◽  
The Self ◽  
Coarse Grained ◽  
Zone Size ◽  
Interaction Zone ◽  
Supramolecular Networks ◽  
Dynamics Simulations ◽  
Target Design

In this study we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of...

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