Catalytic Cracking of Lower-Valued Hydrocarbons for Producing Light Olefins, Catalysis Surveys from Asia, vol.14, issue.2, pp.75-84, 2010. ,
Lubricant base fluids based on renewable raw materials, Applied Catalysis A: General, vol.221, issue.1-2, pp.429-442, 2001. ,
Dimerization of ethylene to butene-1 catalyzed by Ti(OR')4-AlR3, Applied Catalysis A: General, vol.105, issue.1, pp.1-40, 1993. ,
Olefin/paraffin separation technology: a review, Industrial & Engineering Chemistry Research, vol.32, issue.10, pp.2208-2212, 1993. ,
Accelerated synthesis of all-silica DD3R and its performance in the separation of propylene/propane mixtures, Microporous and Mesoporous Materials, vol.115, issue.3, pp.585-593, 2008. ,
ITQ-12: A Zeolite Having Temperature Dependent Adsorption Selectivity and Potential for Propene Separation, The Journal of Physical Chemistry B, vol.108, issue.30, pp.11044-11048, 2004. ,
Stepped Propane Adsorption in Pure-Silica ITW Zeolite, Langmuir, vol.34, issue.16, pp.4774-4779, 2018. ,
Analysis of the ITQ-12 Zeolite Performance in Propane?Propylene Separations Using a Combination of Experiments and Molecular Simulations, The Journal of Physical Chemistry C, vol.114, issue.35, pp.14907-14914, 2010. ,
Performance of CaX Zeolite for Separation of C2H6, C2H4, and CH4by Adsorption Process; Capacity, Selectivity, and Dynamic Adsorption Measurements, Separation Science and Technology, vol.46, issue.2, pp.349-355, 2010. ,
New 13X zeolite for propylene/propane separation by vacuum swing adsorption, Separation and Purification Technology, vol.103, pp.60-70, 2013. ,
Equilibrium and Fixed Bed Adsorption of 1?Butene, Propylene and Propane Over 13X Zeolite Pellets, Separation Science and Technology, vol.43, issue.5, pp.1124-1156, 2008. ,
Multicomponent adsorption equilibrium of ethylene, propane, propylene and CO2 on 13X zeolite, Gas Separation & Purification, vol.8, issue.4, pp.247-256, 1994. ,
Adsorption of Propane and Propylene in Pellets and Crystals of 5A Zeolite, Industrial & Engineering Chemistry Research, vol.41, issue.1, pp.85-92, 2002. ,
Heats of adsorption of water vapour on X-zeolites containing Li+, Na+, K+, Rb+, and Cs+ cations, Transactions of the Faraday Society, vol.67, p.458, 1971. ,
Adsorption of gases on 4A synthetic zeolite, Canadian Journal of Chemistry, vol.47, issue.24, pp.4661-4670, 1969. ,
Propane-Propylene Binary Adsorption on Zeolite 4a, Adsorption, vol.9, issue.4, pp.321-329, 2003. ,
Molecular Simulation of Propane?Propylene Binary Adsorption Equilibrium in Zeolite 4A, Industrial & Engineering Chemistry Research, vol.46, issue.1, pp.321-328, 2007. ,
Understanding the Role of Sodium during Adsorption: A Force Field for Alkanes in Sodium-Exchanged Faujasites, Journal of the American Chemical Society, vol.126, issue.36, pp.11377-11386, 2004. ,
Understanding cage effects in the n-alkane conversion on zeolites, Journal of Catalysis, vol.237, issue.2, pp.278-290, 2006. ,
Adsorptive process design for the separation of hexane isomers using zeolites, Physical Chemistry Chemical Physics, vol.19, issue.7, pp.5037-5042, 2017. ,
United Atom Force Field for Alkanes in Nanoporous Materials, The Journal of Physical Chemistry B, vol.108, issue.33, pp.12301-12313, 2004. ,
Molecular Simulation of Propane?Propylene Binary Adsorption Equilibrium in Zeolite 13X, Industrial & Engineering Chemistry Research, vol.46, issue.22, pp.7239-7245, 2007. ,
Molecular Simulation Studies on Adsorption of Propane/Propylene in NaA Zeolite by Using a Monte Carlo Technique, JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, vol.36, issue.9, pp.1085-1094, 2003. ,
Quasi-equilibrated temperature programmed desorption and adsorption: A new method for determination of the isosteric adsorption heat, Thermochimica Acta, vol.454, issue.1, pp.26-32, 2007. ,
Determination of the adsorption heat of n-hexane and n-heptane on zeolites beta, L, 5A, 13X, Y and ZSM-5 by means of quasi-equilibrated temperature-programmed desorption and adsorption (QE-TPDA), Thermochimica Acta, vol.465, issue.1-2, pp.30-39, 2007. ,
Ordering ofn-Alkanes Adsorbed in the Micropores of AlPO4-5: A Combined Molecular Simulations and Quasi-Equilibrated Thermodesorption Study, The Journal of Physical Chemistry C, vol.121, issue.45, pp.25292-25302, 2017. ,
A New Two-Constant Equation of State, Industrial & Engineering Chemistry Fundamentals, vol.15, issue.1, pp.59-64, 1976. ,
On the inner workings of Monte Carlo codes, Molecular Simulation, vol.39, issue.14-15, pp.1253-1292, 2013. ,
RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials, Molecular Simulation, vol.42, issue.2, pp.81-101, 2015. ,
Controlling Thermal Expansion: A Metal?Organic Frameworks Route, Chemistry of Materials, vol.28, issue.22, pp.8296-8304, 2016. ,
Accurate redetermination of crystal structure of dehydrated zeolite A. Absence of near zero coordination of sodium. Refinement of silicon,aluminum-ordered superstructure, Journal of the American Chemical Society, vol.102, issue.14, pp.4704-4708, 1980. ,
The structure of dehydrated zeolite 5A () by neutron profile refinement, Journal of Solid State Chemistry, vol.51, issue.1, pp.83-90, 1984. ,
Determination of the electric field in zeolites NaA, NaCaA and Ca6A. Calculation from the ionic charge distribution and infrared measurements of the induced band of N2, Journal of the Chemical Society, Faraday Transactions 2, vol.82, issue.11, p.1953, 1986. ,
The crystal structure of dehydrated NaX, Zeolites, vol.15, issue.5, pp.439-443, 1995. ,
Synthesis and Single-crystal Structure of Fully Dehydrated Fully Ca2+exchanged Zeolite Y (FAU), |Ca35.5|[Si121Al71O384]-FAU, Bulletin of the Korean Chemical Society, vol.30, issue.8, pp.1703-1710, 2009. ,
Cation location in dehydrated zeolite NaY revisited: SI position is displaced from the center of the hexagonal prism, Microporous Materials, vol.12, issue.4-6, pp.369-373, 1997. ,
An algorithm for the location of transition states, Journal of Computational Chemistry, vol.7, issue.4, pp.385-395, 1986. ,
Computer Simulation Studies of Zeolite Structure, Molecular Simulation, vol.1, issue.4, pp.207-224, 1988. ,
Interatomic potentials for SiO2, Journal of the Chemical Society, Chemical Communications, issue.19, p.1271, 1984. ,
A Simulation Study of Alkanes in Linde Type A Zeolites, Adsorption Science & Technology, vol.25, issue.6, pp.417-427, 2007. ,
A New United Atom Force Field for Adsorption of Alkenes in Zeolites, The Journal of Physical Chemistry C, vol.112, issue.7, pp.2492-2498, 2008. ,
Shape Selectivity in Adsorption on the All-Silica DD3R, Langmuir, vol.16, issue.7, pp.3322-3329, 2000. ,
Light hydrocarbon sorption properties of pure silica Si-CHA and ITQ-3 and high silica ZSM-58, Microporous and Mesoporous Materials, vol.67, issue.1, pp.27-33, 2004. ,
Pure silica ITQ-32 zeolite allows separation of linear olefins from paraffins, Chem. Commun., issue.12, pp.1233-1235, 2007. ,
Light olefins/paraffins separation with 13X zeolite binderless beads, Separation and Purification Technology, vol.133, pp.452-475, 2014. ,
Propylene/propane mixture adsorption on faujasite sorbents, Adsorption, vol.14, issue.2-3, pp.309-321, 2008. ,
Sorption and diffusion of light hydrocarbons on NaY zeolites, Journal of Chemical & Engineering Data, vol.36, issue.1, pp.1-4, 1991. ,
Ab initiomolecular dynamics for liquid metals, Physical Review B, vol.47, issue.1, pp.558-561, 1993. ,
Ab initiomolecular-dynamics simulation of the liquid-metal?amorphous-semiconductor transition in germanium, Physical Review B, vol.49, issue.20, pp.14251-14269, 1994. ,
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set, Computational Materials Science, vol.6, issue.1, pp.15-50, 1996. ,
Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set, Physical Review B, vol.54, issue.16, pp.11169-11186, 1996. ,
Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.77, issue.18, pp.3865-3868, 1996. ,
Projector augmented-wave method, Physical Review B, vol.50, issue.24, pp.17953-17979, 1994. ,
From ultrasoft pseudopotentials to the projector augmented-wave method, Physical Review B, vol.59, issue.3, pp.1758-1775, 1999. ,
Special Points for Brillouin-Zone Integrations, Phys. Rev. B, p.5188, 1976. ,
Flexibility and Swing Effect on the Adsorption of Energy-Related Gases on Zif-8: Combined Experimental and Simulation Study, Dalton Trans, vol.41, pp.10752-10762, 2012. ,
Adsorptive and Gas Chromatographic Properties of Various Cationic Forms of Zeolite X, Can. J. Chem, vol.42, pp.2340-2350, 1964. ,
New Sorbents for Olefin/Paraffin Separations by Adsorption Via ?-Complexation, AIChE J, vol.41, pp.509-517, 1995. ,
Adsorption of Propene on Nax Zeolite Exchanged with Zn2+ and Cu2+, Appl. Catal., A, vol.178, pp.61-68, 1999. ,
Absolute Molecular Sieve Separation of Ethylene/Ethane Mixtures with Silver Zeolite A, Journal of the American Chemical Society, vol.134, issue.36, pp.14635-14637, 2012. ,
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Separation Processes Based on Reversible Chemical Complexation, pp.760-774, 1987. ,
Effective Model for Olefin/Paraffin Separation Using, 2017. ,
Olefin/Paraffin Separation in Open Metal Site Cu-BTC Metal?Organic Framework, The Journal of Physical Chemistry C, vol.121, issue.5, pp.3126-3132, 2017. ,
Potential of Polarizable Force Fields for Predicting the Separation Performance of Small Hydrocarbons in M-Mof-74, Phys. Chem. Chem. Phys, vol.20, pp.28848-28859, 2018. ,
Improving Olefin Purification Using Metal Organic Frameworks with Open Metal Sites, ACS Applied Materials & Interfaces, vol.10, issue.19, pp.16911-16917, 2018. ,
Hydrocarbon Separations in a Metal-Organic Framework with Open Iron(Ii) Coordination Sites, Science, vol.335, pp.1606-1610, 2012. ,
Sorption of Hydrocarbons in Silicalite-1 and Nay Zeolites, Studies in Surface Science and Catalysis, vol.62, pp.509-517, 1991. ,
Adsorption Equilibria of Propylene and Propane on Zeolites and Prediction of Their Binary Adsorption with the Ideal Adsorbed Solution Theory, Journal of Chemical & Engineering Data, vol.61, issue.7, pp.2629-2637, 2016. ,