This paper investigates the sensitivity of width proximity and mesh grid size to the wake characteristics of Momentum Reversal Lift (MRL) turbine using a new computational fluid dynamics (CFD) based Immersed Body Forc...This paper investigates the sensitivity of width proximity and mesh grid size to the wake characteristics of Momentum Reversal Lift (MRL) turbine using a new computational fluid dynamics (CFD) based Immersed Body Force (IBF) model. This model has been added as a source term into the large eddy simulation (LES), which is developed for solving two phase fluids. The open source CFD code OpenFOAM was used for the simulations. The simulation results showed that the grid size and width proximity have had massive impact on the flow characteristics and the computational cost of the tidal turbine. A fine grid size and large width inflicted longer computational time. In contrast, a coarse grid size and small width reduced the computational time but showed poor description of the flow features. In addition, a close proximity of the domain’s wall boundary to the turbine affected the free surface, the air body, and the flow characteristics at the interface between the two phases. These results showed that careful investigation of a suitable grid size and spacing between the wall boundary and the turbine is important to minimise the effect of these parameters on the simulation results.展开更多
From our DFT calculations of Ibuprofen drug (IBF) and other related molecules such as 2-Phenylpropanoic acid (2-PPA) and 3-Phenylpropanoic acid (3-PPA), it has been found that the ionization potential energies of thei...From our DFT calculations of Ibuprofen drug (IBF) and other related molecules such as 2-Phenylpropanoic acid (2-PPA) and 3-Phenylpropanoic acid (3-PPA), it has been found that the ionization potential energies of their anions are decreased strongly, with respect to their values in the molecular forms, rendering them as spontaneous electron donor which can compensate the electron deficiency for the positive cancer cells. Time dependent calculations show good coincidence with the experimental absorption spectra. Some complexes of IBF are prepared with Cu<sup>++</sup> and Zn<sup>++</sup> ions. The ratio between the M<sup>++</sup> and the ligand (IBF) is 1:2 which has been verified by atomic absorption spectra and elemental analyses. Their spectral studies have been performed in different solvents of different polarities. The metabolite products of IBF have been studied from DFT calculations point of view and it has been concluded that the consistency of the ionization constants and the electron affinities of them with those of the nucleic acid bases prevents the electron transfer between them therefore they are safe for the human body from cancer diseases.展开更多
Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinoge...Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinogenic cells of electron deficiency in their nuclei. Due to the spontaneity of electron transfer of anions, it has been found clinically that ibuprofen drug cures cancers of colon, protostate, lung and breast. The breast cancer treatment of Matthew Gdovin group in two hours by injection of ethanolic solution of nitrobenzaldehyde in the breast tumor in presence of uv-irradiation has been studied from TD-DFT point of view;the excited states of these molecules in presence of uv-irradiation act as electron donors to the cancerous cells to compensate the electron deficiency. Finally, it has been concluded that the electron transfer is the main cause of the breast cancer treatment which is the most aggressive type of cancers and is one of the hardest to treat.展开更多
文摘This paper investigates the sensitivity of width proximity and mesh grid size to the wake characteristics of Momentum Reversal Lift (MRL) turbine using a new computational fluid dynamics (CFD) based Immersed Body Force (IBF) model. This model has been added as a source term into the large eddy simulation (LES), which is developed for solving two phase fluids. The open source CFD code OpenFOAM was used for the simulations. The simulation results showed that the grid size and width proximity have had massive impact on the flow characteristics and the computational cost of the tidal turbine. A fine grid size and large width inflicted longer computational time. In contrast, a coarse grid size and small width reduced the computational time but showed poor description of the flow features. In addition, a close proximity of the domain’s wall boundary to the turbine affected the free surface, the air body, and the flow characteristics at the interface between the two phases. These results showed that careful investigation of a suitable grid size and spacing between the wall boundary and the turbine is important to minimise the effect of these parameters on the simulation results.
文摘From our DFT calculations of Ibuprofen drug (IBF) and other related molecules such as 2-Phenylpropanoic acid (2-PPA) and 3-Phenylpropanoic acid (3-PPA), it has been found that the ionization potential energies of their anions are decreased strongly, with respect to their values in the molecular forms, rendering them as spontaneous electron donor which can compensate the electron deficiency for the positive cancer cells. Time dependent calculations show good coincidence with the experimental absorption spectra. Some complexes of IBF are prepared with Cu<sup>++</sup> and Zn<sup>++</sup> ions. The ratio between the M<sup>++</sup> and the ligand (IBF) is 1:2 which has been verified by atomic absorption spectra and elemental analyses. Their spectral studies have been performed in different solvents of different polarities. The metabolite products of IBF have been studied from DFT calculations point of view and it has been concluded that the consistency of the ionization constants and the electron affinities of them with those of the nucleic acid bases prevents the electron transfer between them therefore they are safe for the human body from cancer diseases.
文摘Focusing our DFT calculations on the carboxylic acid drugs such as ibuprofen drug (IBF), it has been concluded that the anions of these types of drugs have the spontaneous electron donor character to all the carcinogenic cells of electron deficiency in their nuclei. Due to the spontaneity of electron transfer of anions, it has been found clinically that ibuprofen drug cures cancers of colon, protostate, lung and breast. The breast cancer treatment of Matthew Gdovin group in two hours by injection of ethanolic solution of nitrobenzaldehyde in the breast tumor in presence of uv-irradiation has been studied from TD-DFT point of view;the excited states of these molecules in presence of uv-irradiation act as electron donors to the cancerous cells to compensate the electron deficiency. Finally, it has been concluded that the electron transfer is the main cause of the breast cancer treatment which is the most aggressive type of cancers and is one of the hardest to treat.
