Towards optimal mixtures of working fluids: Integrated design of processes and mixtures for Organic Rankine Cycles

J Schilling, M Entrup, M Hopp, J Gross… - … and Sustainable Energy …, 2021 - Elsevier
Abstract Organic Rankine Cycles transform low-temperature heat from sustainable sources
into electrical power. Exploiting the full potential of a low-temperature heat source requires …

Computer aided design of solvent blends for hybrid cooling and antisolvent crystallization of active pharmaceutical ingredients

OL Watson, S Jonuzaj, J McGinty, J Sefcik… - … Process Research & …, 2021 - ACS Publications
Choosing a solvent and an antisolvent for a new crystallization process is challenging due to
the sheer number of possible solvent mixtures and the impact of solvent composition and …

[PDF][PDF] Computer aided molecular design: fundamentals, methods and applications

AI Papadopoulos11, I Tsivintzelis, P Linke… - Chem., Mol. Sci. and …, 2018 - researchgate.net
Nomenclature dt0015 A Helmholtz free energy dt0020 Ak Matrix of number of occurrences of
molecular groups in molecule k dt0025 ACO Ant colony optimization dt0030 ADI Absorption …

[HTML][HTML] A perspective on smart process manufacturing research challenges for process systems engineers

IDL Bogle - Engineering, 2017 - Elsevier
The challenges posed by smart manufacturing for the process industries and for process
systems engineering (PSE) researchers are discussed in this article. Much progress has …

Systematic green solvent selection for the hydroformylation of long-chain alkenes

S Linke, K McBride, K Sundmacher - ACS Sustainable Chemistry …, 2020 - ACS Publications
When selecting solvents, not only thermodynamic criteria but also environmental, health,
and safety (EHS) properties should be considered. To this end, we present a fully automated …

Computer aided chemical product design–ProCAPD and tailor-made blended products

S Kalakul, L Zhang, Z Fang, HA Choudhury… - Computers & Chemical …, 2018 - Elsevier
In chemical product design, application of computer-aided methods helps to design as well
as improve products to reach the market faster by reducing time-consuming experiments at …

Development of solvent design methodologies using computer-aided molecular design tools

NG Chemmangattuvalappil - Current Opinion in Chemical Engineering, 2020 - Elsevier
This paper presents an overview of the recent developments in the area of solvent design
using computer-aided molecular design (CAMD) tools. Effective CAMD approaches are …

Chemical product design: Advances in and proposed directions for research and teaching

KM Ng, R Gani - Computers & Chemical Engineering, 2019 - Elsevier
After its launch at the turn of the millennium, integrated product and process design has
gradually taken root in research and teaching within chemical and biological engineering …

Incorporation of heuristic knowledge in the optimal design of formulated products: Application to a cosmetic emulsion

JA Arrieta-Escobar, FP Bernardo, A Orjuela… - Computers & Chemical …, 2019 - Elsevier
In particular industrial sectors, such as the cosmetic, there is a considerable amount of
heuristics during the formulation stage, namely regarding qualitative function of ingredients …

Optimal multicomponent working fluid of organic Rankine cycle for exergy transfer from liquefied natural gas regasification

U Lee, A Mitsos - Energy, 2017 - Elsevier
A hybrid optimization methodology is proposed for the working fluid selection of an organic
Rankine cycle (ORC). First, a stochastic global solver is used to select the chemical species …