Stability and bonding nature of positronic lithium molecular dianion.

We studied the stability of a system consisting of a positron (e+) and two lithium anions, [Li-; e+; Li-], using first-principles quantum Monte Carlo calculations combined with the multi-component molecular orbital method. While diatomic lithium molecular dianions Li22- are unstable, we found that its positronic complex can form a bound state with respect to the lowest energy decay into the dissociation channel Li2- and a positronium (Ps). The [Li-; e+; Li-] system has the minimum energy at the internuclear distance of ∼3 Å, which is close to the equilibrium internuclear distance of Li2-. At the minimum energy structure both an excess electron and a positron are delocalized as orbiting around the Li2- molecular anion core. A dominant feature of such a positron bonding structure is described as the Ps fraction bound to Li2-, unlike the covalent positron bonding scheme for the electronically isovalent [H-; e+; H-] complex.

Wax Thickness and Distribution Monitoring Inside Petroleum Pipes Based on External Temperature Measurements.

A method to estimate wax thickness inside petroleum pipes from the external pipe temperature measurements is proposed. When wax is deposited inside the pipe, the external pipe surface temperature decreases because the heat resistance of the wax reduces the heat flow from the fluid inside the pipe to the fluid outside the pipe. The decrease in the external pipe temperature can be calculated by solving a heat equation about the heat transfer from the pipe inner fluid to external ambient fluid, and thus the wax thickness can be estimated by measuring the pipe surface temperature. An experiment to validate the method was performed. Crude oil was passed through a pipe with an inner diameter of about 8 mm. Ten thermocouples were installed on the pipe. The pipe was covered by a heat-shrink tube as a substitute for an insulation material. The pipe was cooled by a coolant jacket, and wax about 0.8 mm thick was deposited in the pipe. The wax thickness estimated from the temperature measurements agreed well with the thickness estimated from the pressure rise because of the wax layer and from the final gross weight of the wax. The difference between wax thickness estimated from the temperature measurements and from the final gross weight was less than 0.2 mm.

First-principles quantum Monte Carlo studies for prediction of double minima for positronic hydrogen molecular dianion.

We studied the positron (e+) interaction with the hydrogen molecular dianion H2 2- to form the positronic bound state of [H-; e+; H-] using the first-principles quantum Monte Carlo method combined with the multi-component molecular orbital one. H2 2- itself is unstable, but it was shown that such an unbound H2 2- may become stable by intermediating a positron and forming the positronic covalent bond of the [H-; e+; H-] system [J. Charry et al., Angew. Chem., Int. Ed. 57, 8859-8864 (2018)]. We newly found that [H-; e+; H-] has double minima containing another positronic bound state of [H2; Ps-]-like configuration with the positronium negative ion Ps- at the bond distance approximately equal to the equilibrium H2 molecule. Our multi-component variational Monte Carlo calculation and the multi-component configuration interaction one resulted in the positronic covalent bonded structure being the global minimum, whereas a more sophisticated multi-component diffusion Monte Carlo calculation clearly showed that the [H2; Ps-]-like structure at the short bond distance is energetically more stable than the positronic covalent bonded one. The relaxation due to interparticle correlation effects pertinent to Ps- (or Ps) formation is crucial for the formation of the Ps-A2-like structure for binding a positron to the non-polar negatively charged dihydrogen.