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This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.
Most 2-bromoalkanes are prepared by addition of hydrogen bromide to the 1-alkene. Markovnikov addition proceeds in the absence of free-radicals, i.e. give the 2-bromo derivatives. [ 2 ]
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
Most 1-bromoalkanes are prepared by free-radical addition of hydrogen bromide to the 1-alkene, which is 1-pentene in the case of 1-bromopentane. These conditions lead to anti-Markovnikov addition, giving the 1-bromo derivative. [2] It is also formed by the reaction of 1-pentanol with hydrogen bromide.
The main limitation of the traditional Wittig reaction is that the reaction proceeds mainly via the erythro betaine intermediate, which leads to the Z-alkene. The erythro betaine can be converted to the threo betaine using phenyllithium at low temperature. [18] This modification affords the E-alkene. The Schlosser variant of the Wittig reaction
The Koch reaction is an organic reaction for the synthesis of tertiary carboxylic acids from alcohols or alkenes and carbon monoxide.Some commonly industrially produced Koch acids include pivalic acid, 2,2-dimethylbutyric acid and 2,2-dimethylpentanoic acid. [1]
in black: proton abstraction in an elimination reaction to unsaturated compound 7. When the alkene carries a methylene group, elimination and addition can be concerted with transfer of an allyl proton to the carbonyl group which in effect is an ene reaction in scheme 6. Scheme 6. Carbonyl-ene reaction versus Prins reaction
Code::Blocks is a free, open-source, cross-platform IDE that supports multiple compilers including GCC, Clang and Visual C++. It is developed in C++ using wxWidgets as the GUI toolkit. Using a plugin architecture, its capabilities and features are defined by the provided plugins. Currently, Code::Blocks is oriented towards C, C++, and Fortran.