Diaz, Luis Herrera - Charles Darwin University - School of Engineering and Information Technology

研究领域

My general research interests are in the field of molecular simulation, the study of gas-solid interactions and porous solids. Molecular simulation is currently a robust technique that allows the understanding of processes at the molecular scale. I use Monte Carlo simulation methods combined with experimental work to understand the interaction of solids and fluids as well as to develop new methods for the simulation of carbon porous materials. Porous solids and their interaction with fluids is important to chemical engineers because of the large number of industrial applications such as catalysis, adsorption and gas/energy storage. I am interested in: fundamental study of adsorption process in porous solids. characterization of porous materials by using adsorption means and molecular simulation techniques development of novel methods to simulate porous carbon materials development of new Monte Carlo methods to study solid fluid interaction

近期论文

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Wang, Y., D. D. Do, L. F. Herrera and D. Nicholson (2013). "On the condensation/evaporation pressures and isosteric heats for argon adsorption in pores of different cross-sections." Colloids and Surfaces A: Physicochemical and Engineering Aspects 420: 96-102. Herrera, L. F., C. Fan, V. Nguyen, D. D. Do, T. Horikawa and D. Nicholson (2012). "A self-consistent method to determine accessible volume, area and pore size distribution (APSD) of BPL, Norit and AX-21 activated carbon." Carbon 50(2): 500-509. Herrera, L. C. Fan, D. Do and D. Nicholson (2011). "A revisit to the Gibbs dividing surfaces and helium adsorption." Adsorption 17(6): 955-965. Liu, Z., L. Herrera, V. T. Nguyen, D. D. Do and D. Nicholson (2011). "A Monte Carlo scheme based on mid-density in a hysteresis loop to determine equilibrium phase transition." Molecular Simulation 37(11): 932-939. Razak, M. a. A., V. T. Nguyen, L. F. Herrera, D. D. Do and D. Nicholson (2011). "Microscopic analysis of adsorption in slit-like pores: layer fluctuations of particle number, layer isosteric heat and histogram of particle number." Molecular Simulation: 1-13. Herrera, L. F., C. Fan, D. D. Do and D. Nicholson (2011). "Novel Method to Determine Accessible Volume, Area, and Pore Size Distribution of Activated Carbon." Industrial & Engineering Chemistry Research 50(7): 4150-4160. Do, D., L. F. Herrera and D. Nicholson (2011). "A method for the determination of accessible surface area, pore volume, pore size and its volume distribution for homogeneous pores of different shapes." Adsorption 17(2): 325-335. Herrera, L. F., C. Fan, D. Do and D. Nicholson (2010). "A novel and consistent method (TriPOD) to characterize an arbitrary porous solid for its accessible volume, accessible geometrical surface area and accessible pore size." Adsorption: 1-14. Herrera, L. F., C. Fan, D. D. Do and D. Nicholson (2010). "Monte Carlo Optimization Scheme to Determine the Physical Properties of Porous and Nonporous Solids." Langmuir 26(19): 15278-15288. Herrera, L. F., D. D. Do and G. R. Birkett (2010). "Histogram of number of particles as an indicator for 2D phase transition in adsorption of gases on graphite." Molecular Simulation 36(14): 1173-1181. Herrera, L., D. D. Do and D. Nicholson (2010). "A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension." Journal of Colloid and Interface Science 348(2): 529-536. Fan, C., L. F. Herrera, D. D. Do and D. Nicholson (2010). "New Method to Determine Surface Area and Its Energy Distribution for Nonporous Solids: A Computer Simulation and Experimental Study." Langmuir 26(8): 5610-5623. Do, D., L. Herrera, C. Fan, A. Wongkoblap and D. Nicholson (2010). "The role of accessibility in the characterization of porous solids and their adsorption properties." Adsorption 16(1): 3-15. Herrera, L. F. and D. Do (2009). "Effects of surface structure on the molecular projection area. Adsorption of argon and nitrogen onto defective surfaces." Adsorption 15(3): 240-246. Herrera, L. F., S. Junpirom, D. D. Do and C. Tangsathitkulchai (2009). "Computer synthesis of char and its characterization." Carbon 47(3): 839-849. Do, D. D., L. F. Herrera and H. D. Do (2008). "A New Method to Determine Pore Size and Its Volume Distribution of Porous Solids having Known Atomistic Configuration." Journal of Colloid and Interface Science 328: 110–119. Herrera, L. F., D. D. Do and G. R. Birkett (2008). "Comparative Simulation Study of Nitrogen and Ammonia Adsorption on Graphitized and Non-Graphitized carbon blacks." Journal of Colloid and Interface Science 320: 415-422. Herrera, L. F., D. D. Do and G. R. Birkett (2008). Characterization of Virtual Nano-Structures through the use of Monte Carlo Integration. Advanced Materials Research. 32: 275-278.