D
Dimitris G. Mintis
Researcher at University of Patras
Publications - 8
Citations - 74
Dimitris G. Mintis is an academic researcher from University of Patras. The author has contributed to research in topics: Molecular dynamics & Degree of ionization. The author has an hindex of 4, co-authored 8 publications receiving 43 citations. Previous affiliations of Dimitris G. Mintis include The Cyprus Institute.
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Effect of pH and Molecular Length on the Structure and Dynamics of Short Poly(acrylic acid) in Dilute Solution: Detailed Molecular Dynamics Study.
TL;DR: It is observed that the generalized AMBER force field in combination with the RESP charge fitting method best describes both the structural and dynamical behavior of PAA in comparison to experimentally obtained data.
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Effect of pH and Molecular Length on the Structure and Dynamics of Linear and Short-Chain Branched Poly(ethylene imine) in Dilute Solution: Scaling Laws from Detailed Molecular Dynamics Simulations.
TL;DR: Atomistic molecular dynamics simulations are carried out to examine the effect of molecular weight Mw and pH on the structure, state of hydration, and dynamics of linear and short chain branched poly(ethylene imine) (PEI) chains in infinitely dilute salt-free aqueous solutions and it is found that the degree of ionization is the key factor determining the type of molecular conformation adopted by PEI.
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Effect of Polymer Concentration on the Structure and Dynamics of Short Poly(N, N-dimethylaminoethyl methacrylate) in Aqueous Solution : A Combined Experimental and Molecular Dynamics Study
Dimitris G. Mintis,Marco Dompé,Marleen Kamperman,Vlasis G. Mavrantzas,Vlasis G. Mavrantzas,Vlasis G. Mavrantzas +5 more
TL;DR: It is observed that at low polymer concentrations PDMAEMA chains adopt a stiffer and slightly extended conformation due to excluded-volume effects and electrostatic repulsions within the polymer chains, as the polymer concentration increases above 20 wt %, and adopt more flexible conformations.
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Phase Boundary and Salt Partitioning in Coacervate Complexes Formed between Poly(acrylic acid) and Poly(N,N-dimethylaminoethyl methacrylate) from Detailed Atomistic Simulations Combined with Free Energy Perturbation and Thermodynamic Integration Calculations
TL;DR: In this paper, the phase boundary of a complex coacervate system resulting from the complexation of two oppositely and fully charged weak polyelas was determined with detailed atomistic simulations.