Study of the Anti-Wear Properties of Coconut Oil Using Quantum Chemical Calculations and Tribological Tests

Abstract

In this paper Spartan 02, a molecular dynamics software, is used to analyze and predict the tribological properties of coconut oil in a qualitative manner on the basis of carbon chain length of the constituent fatty acids, their polarity (net electrostatic charge, Qr), the energies of the molecular orbitals E_HOMO (energy of the highest occupied molecular orbital), and E_LUMO (energy of the lowest unoccupied molecular orbital), and the heats of formations (H-Form) of the iron soaps of respective fatty acids. Tribological properties of the constituent fatty acids of coconut oil were evaluated using a four-ball tester as per ASTM D4172 method. The experimental results showed good correlation to the selected quantum chemical descriptors. The influence of an anti-wear additive on the tribological performance of coconut oil and the optimum additive concentration were also evaluated experimentally.

Lubricant properties of biodegradable rubber tree seed (Hevea brasiliensis Muell. Arg) oil

“…It has been stated that the length of the carbon chain influences wear and friction (Havet et al, 2001). Coconut oil which consists of fatty acids with relatively shorter chain length hence has a higher COF (Jayadas and Prabhakaran Nair, 2006a). The analysis of the WSD data show that the values are within the expected range for commodity oils (0.51-0.87 mm) (Wood-Adams, 2001).…”

Evaluation of Tribological Properties of Sulfur- and Phosphorous-Free Quinolinium Salts and Their Correlation with Quantum Chemical Parameters

“…In general, there is donation of electron density from the active centres of the additive molecules to the empty d-orbitals of metal atom. 52,53 The difference in Table 3, has been considered as a parameter of interaction between the two and found to be minimum in case of [DIP-Q] + Br -. Thus, [DIP-Q] + Br -undergoes maximum interaction and hence acts as the best antiwear additive.…”

Evaluation of physiochemical and tribological properties of rice bran oil – biodegradable and potential base stoke for industrial lubricants

“…From the literature survey it is seen that zinc dithiophosphate is a best wear additive for chemical wear of vegetable oils (Jayadas and Nair, 2006b). Synergic effect of organic molebdate ester with zinc dialkyl dithiophosphate as an anti wear additive was established in rapseed oil (Hua et al, 2008).…”