mehrzad arjmandi
Department of Chemical Engineering, Faculty of Eng, Ferdowsi University of Mashhad, Mashhad, Iran
[ 1 ] - Interpreting the CO2 adsorption on functionalized organic group of IRMOF-1: A B3LYP DFT based study
Density Functional Theory (DFT) calculations techniques in terms of energetic and electronics properties are used to study CO2 adsorption in NH2-, OH-, COOH-, Br- and Cl-functionalized IRMOF-1. Geometry optimization, density of states (DOS), and energy analyses were performed to investigate the adsorption phenomenon. First, we examined the geometrical as well as the electronic structures of fun...
[ 2 ] - A New Approach for Determination of Neck-Pore Size Distribution of Porous Membranes via Bubble Point Data
Reliable estimation of the porous membranes neck-pore size distribution (NPSD) is the key element in the design and operation of all membrane separation processes. In this paper, a new approach is presented for reliable of NPSD of porous membranes using wet flow-state bubble point test data. For this purpose, a robust method based on the linear regularization theory is developed to extract NPSD...
نویسندگان همکار