Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques

ND Austin, NV Sahinidis, DW Trahan - Chemical Engineering Research …, 2016 - Elsevier
This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …
A Zuend - Atmospheric Chemistry and …, 2020 - acp.copernicus.org
The viscosity of primary and secondary organic aerosol (SOA) has important implications for
the processing of aqueous organic aerosol phases in the atmosphere, their involvement in …

Prediction Models of Saturated Vapor Pressure, Saturated Density, Surface Tension, Viscosity and Thermal Conductivity of Electronic Fluoride Liquids in Two-Phase …

X Wu, J Huang, Y Zhuang, Y Liu, J Yang, H Ouyang… - Applied Sciences, 2023 - mdpi.com
As the carriers of massive data, data centers are constantly needed to process and calculate
all kinds of information from various fields and have become an important infrastructure for …

Review and performance evaluation of fifty alternative liquid fuels for spark-ignition engines

D Gschwend, P Soltic, A Wokaun, F Vogel - Energy & Fuels, 2019 - ACS Publications
The currently discussed alternative fuels for spark-ignition engines are numerous. A total of
50 different liquid fuel compounds were identified from the literature. Using a thermodynamic …

Power-to-fuel conversion based on reverse water-gas-shift, Fischer-Tropsch Synthesis and Hydrocracking: Mathematical modeling and simulation in Matlab/Simulink

H Kirsch, U Sommer, P Pfeifer, R Dittmeyer - Chemical Engineering …, 2020 - Elsevier
Defossilization of the transport sector must contribute to the drastic reduction of CO 2
emissions within the next three decades to limit global warming. The production of synthetic …

Connecting bulk viscosity measurements to kinetic limitations on attaining equilibrium for a model aerosol composition

AM Booth, B Murphy, I Riipinen… - Environmental …, 2014 - ACS Publications
The growth, composition, and evolution of secondary organic aerosol (SOA) are governed
by properties of individual compounds and ensemble mixtures that affect partitioning …

Automated methods for identification and quantification of structural groups from nuclear magnetic resonance spectra using support vector classification

T Specht, K Münnemann, H Hasse… - Journal of Chemical …, 2021 - ACS Publications
Nuclear magnetic resonance (NMR) spectroscopy is a powerful tool for elucidating the
structure of unknown components and the composition of liquid mixtures. However, these …