Designing Hydrogel-Based Bone-On-Chips for Personalized Medicine
status: published
Correlations for concentration polarisation and pressure drop in spacer-filled RO membrane modules based on CFD simulati...
Empirical correlations for mass transfer coefficient and friction factor are often used in process models for reverse osmosis (RO) membrane systems. These usually involve four dimensionless groups, namely Reynolds number (Re), Sherwood number (Sh), friction factor (f), and Schmidt number (Sc), with the associated coefficients and exponents being ob...
Melt-quenched porous organic cage glasses
The discrete molecular nature of porous organic cages (POCs) has allowed us to direct the formation of crystalline materials by crystal engineering. It has also been possible to create porous amorphous solids by deliberately disrupting the crystalline packing, either with chemical modification or by processing. More recently, organic cages were use...
Dual-Channel Charge Carrier Transfer in CsPbX3 Perovskite/W18O49 Composites for Selective Photocatalytic Benzyl Alcohol ...
status: published
Building and breaking bonds by homogenous nucleation in glass-forming melts leading to transitions in three liquid state...
The thermal history of melts leads to three liquid states above the melting temperatures Tm containing clusters—bound colloids with two opposite values of enthalpy +Δεlg × ΔHm and −Δεlg × ΔHm and zero. All colloid bonds disconnect at Tn+ > Tm and give rise in congruent materials, through a first-order transition at TLL = Tn+, forming a homogeneous ...
Alloy design against the solidification cracking in fusion additive manufacturing: An application to FeCrAl alloy
This study developed a design methodology against liquid-state cracking by combining the Scheil–Gulliver solidification simulations and Machine Learning analysis to design alloys for Fusion Additive Manufacturing. Applying this design approach resulted in a Fe–20Cr–7Al–4Mo–3Ni. The alloy was successfully printed with relative densities of over 99%....
Experimental Evidence of Chloride-Induced Trap Passivation in Lead Halide Perovskites through Single Particle Blinking S...
status: published
Coarse-grained molecular dynamics study of the self- assembly of polyphilic bolaamphiphiles using the SAFT- γ mie force ...
A methodology is outlined to parametrize coarse grained molecular models for the molecular dynamics simulation of liquid crystalline bolaamphiphiles (BAs). We employ a top down approach based on the use of the Statistical Associating Fluid Theory (SAFT) that provides a robust and transferable set of building blocks from the fitting of thermophysica...
Defect and dopant properties in CaMnO3
CaMnO3-based ceramics have been the subject of considerable research due to their potential application in solid oxide fuel cells, thermoelectric generators, and catalysis. The computational modeling technique based on the classical pair-wise potentials has allowed atomic-scale insights into the defect chemistry, diffusion of Ca2+ and O2− ions, and...
Use of Ionic Liquids and Co-Solvents for Synthesis of Thin-Film Composite Membranes
Polyamide (PA) thin-film composite (TFC) membranes are commonly applied in reversed osmosis (RO) and nanofiltration (NF) applications due to their thin, dense top-layer, and high selectivity. Recently, the conventional organic phase (i.e., hexane) during interfacial polymerization (IP) was replaced by less toxic ionic liquids (ILs) which led to exc...
