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Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation
Matthew Lennox, Tina Düren
Aug 25, 2016
Xylene isomers are precursors in many important chemical processes, yet their separation via crystallization or distillation is energy intensive. Adsorption presents an attractive, lower-energy alternative and the discovery of...
Understanding the kinetic and thermodynamic origins of xylene separation in UiO-66(Zr) via molecular simulation
Matthew Lennox, Tina Düren
Aug 25, 2016
Xylene isomers are precursors in many important chemical processes, yet their separation via crystallization or distillation is energy intensive. Adsorption presents an attractive, lower-energy alternative and the discovery of...
Grand-canonical Monte Carlo adsorption studies on SBA-2 periodic mesoporous silicas

SBA-2 and STAC-1 are periodic mesoporous silicas with slightly different structures whose pore networks consist of spherical cavities interconnected by windows. This feature makes them attractive for adsorptive separation...

Grand-canonical Monte Carlo adsorption studies on SBA-2 periodic mesoporous silicas

SBA-2 and STAC-1 are periodic mesoporous silicas with slightly different structures whose pore networks consist of spherical cavities interconnected by windows. This feature makes them attractive for adsorptive separation...

Framework-isomerism
The synthesis and structure of a new, highly augmented {Cu2} ‘paddlewheel’-based metal-organic framework (MOF) that is stabilized by tritopic benzoate ligands is reported. The structure adopts an uncommon, less-symmetrical...
Framework-isomerism
The synthesis and structure of a new, highly augmented {Cu2} ‘paddlewheel’-based metal-organic framework (MOF) that is stabilized by tritopic benzoate ligands is reported. The structure adopts an uncommon, less-symmetrical...
Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni)

Metal-organic frameworks (MOFs) are coordination networks with organic ligands containing potential voids. Some MOFs show pronounced structural flexibility that may result in closing and re-opening these pores. Here, we show...

Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)
Flexible MOF nanoparticles, i.e. MOF nanoparticles that change their structure upon external stimuli such as guest uptake, are promising for numerous applications including advanced gas adsorption, drug delivery and sensory...
Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressure

Previous high-pressure experiments have shown that pressure-transmitting fluids composed of small molecules can be forced inside the pores of metal organic framework materials, where they can cause phase transitions and...

Role of particle size and surface functionalisation on the flexibility behaviour of switchable metal-organic framework DUT-8(Ni)
Flexible MOF nanoparticles, i.e. MOF nanoparticles that change their structure upon external stimuli such as guest uptake, are promising for numerous applications including advanced gas adsorption, drug delivery and sensory...
Conformational isomerism controls collective flexibility in metal-organic framework DUT-8(Ni)

Metal-organic frameworks (MOFs) are coordination networks with organic ligands containing potential voids. Some MOFs show pronounced structural flexibility that may result in closing and re-opening these pores. Here, we show...

Stabilization of scandium terephthalate MOFs against reversible amorphization and structural phase transition by guest uptake at extreme pressure

Previous high-pressure experiments have shown that pressure-transmitting fluids composed of small molecules can be forced inside the pores of metal organic framework materials, where they can cause phase transitions and...

Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
Some porous crystalline solids change their structure upon guest inclusion. Unlocking the potential of these solids for a wide variety of applications requires full characterisation of the response to adsorption and the...
Understanding the adsorption process in ZIF-8 using high pressure crystallography and computational modelling
Some porous crystalline solids change their structure upon guest inclusion. Unlocking the potential of these solids for a wide variety of applications requires full characterisation of the response to adsorption and the...
Tuning the Swing Effect by Chemical Functionalization of Zeolitic Imidazolate Frameworks.
Many zeolitic imidazolate frameworks (ZIFs) are promising candidates for use in separation technologies. Comprising large cavities interconnected by small windows they can be used, at least in principle, as molecular sieves...
Pore-network connectivity and molecular sieving of normal and isoalkanes in the mesoporous silica SBA-2

We have studied the adsorption of n-butane and isobutane in the mesoporous silica SBA-2. Our work has two purposes: (i) to better understand the structure of the material, and in particular the impact of calcination on the...

Pore-network connectivity and molecular sieving of normal and isoalkanes in the mesoporous silica SBA-2

We have studied the adsorption of n-butane and isobutane in the mesoporous silica SBA-2. Our work has two purposes: (i) to better understand the structure of the material, and in particular the impact of calcination on the...

Metal-organic frameworks from divalent metals and 1,4-benzenedicarboxylate with bidentate pyridine-N-oxide co-ligands

Two Co2+ metal-organic framework materials, constructed from a combination of 1,4-benzenedicarboxylate (BDC) and either 2,2′-dipyridyl-N-oxide (DPNO) or 2,2′-dipyridyl-N,N′-dioxide (DPNDO), are synthesized under...

STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine
A porous scandium MOF denoted STA-27 (St Andrews Porous Material-27) has been synthesised solvothermally using the 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine anion (TCPP4-) as the tetratopic carboxylate linker. STA-27 possesses a...
STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine
A porous scandium MOF denoted STA-27 (St Andrews Porous Material-27) has been synthesised solvothermally using the 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine anion (TCPP4-) as the tetratopic carboxylate linker. STA-27 possesses a...
Metal-organic frameworks from divalent metals and 1,4-benzenedicarboxylate with bidentate pyridine-N-oxide co-ligands

Two Co2+ metal-organic framework materials, constructed from a combination of 1,4-benzenedicarboxylate (BDC) and either 2,2′-dipyridyl-N-oxide (DPNO) or 2,2′-dipyridyl-N,N′-dioxide (DPNDO), are synthesized under...

Multirate delivery of multiple therapeutic agents from metal-organic frameworks

The highly porous nature of metal-organic frameworks (MOFs) offers great potential for the delivery of therapeutic agents. Here, we show that highly porous metal-organic frameworks can be used to deliver multiple therapeutic...

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